2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine

C121H152F3N35O6S — CID 158583641

IUPAC2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
SMILESCC(=O)Nc1ncc(C(C)C)cn1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2ccccc2)nc1.CC(C)c1cnc(-n2cc(C(C)C)nn2)nc1.CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.CC(C)c1cnc(-n2cc(C3CC3)nn2)nc1.CC(C)c1cnc(CN2CCOCC2)nc1.CC(C)c1cnc(N(C)C2CCOCC2)nc1.CC(C)c1cnc(NC(=O)c2ccccc2)nc1.CC(C)c1cnc(NC(=O)c2cccs2)nc1
InChIInChI=1S/2C14H15N3O.C13H21N3O.C13H14N2.C12H15N5.C12H17N5.C12H13N3OS.C12H19N3O.C10H10F3N5.C9H13N3O/c1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;1-10(2)12-8-15-14(16-9-12)17-13(18)11-6-4-3-5-7-11;1-10(2)11-8-14-13(15-9-11)16(3)12-4-6-17-7-5-12;1-10(2)12-8-14-13(15-9-12)11-6-4-3-5-7-11;1-8(2)10-5-13-12(14-6-10)17-7-11(15-16-17)9-3-4-9;1-8(2)10-5-13-12(14-6-10)17-7-11(9(3)4)15-16-17;1-8(2)9-6-13-12(14-7-9)15-11(16)10-4-3-5-17-10;1-10(2)11-7-13-12(14-8-11)9-15-3-5-16-6-4-15;1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13;1-6(2)8-4-10-9(11-5-8)12-7(3)13/h3-9H,1-2H3,(H2,15,18);3-10H,1-2H3,(H,15,16,17,18);8-10,12H,4-7H2,1-3H3;3-10H,1-2H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14,15,16);7-8,10H,3-6,9H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3,(H,10,11,12,13)
InChIKeyHTOBHQBMOVHDPO-UHFFFAOYSA-N
MW2281.85 g/mol
LogP23.17
Rot. Bonds27

About 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine

2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (PubChem CID 158583641) has the molecular formula C121H152F3N35O6S and a molecular weight of 2281.85 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
PubChem CID158583641
Molecular FormulaC121H152F3N35O6S
Molecular Weight2281.85 g/mol
Exact Mass2280.23
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
SMILESCC(=O)Nc1ncc(C(C)C)cn1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2ccccc2)nc1.CC(C)c1cnc(-n2cc(C(C)C)nn2)nc1.CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.CC(C)c1cnc(-n2cc(C3CC3)nn2)nc1.CC(C)c1cnc(CN2CCOCC2)nc1.CC(C)c1cnc(N(C)C2CCOCC2)nc1.CC(C)c1cnc(NC(=O)c2ccccc2)nc1.CC(C)c1cnc(NC(=O)c2cccs2)nc1
InChIInChI=1S/2C14H15N3O.C13H21N3O.C13H14N2.C12H15N5.C12H17N5.C12H13N3OS.C12H19N3O.C10H10F3N5.C9H13N3O/c1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;1-10(2)12-8-15-14(16-9-12)17-13(18)11-6-4-3-5-7-11;1-10(2)11-8-14-13(15-9-11)16(3)12-4-6-17-7-5-12;1-10(2)12-8-14-13(15-9-12)11-6-4-3-5-7-11;1-8(2)10-5-13-12(14-6-10)17-7-11(15-16-17)9-3-4-9;1-8(2)10-5-13-12(14-6-10)17-7-11(9(3)4)15-16-17;1-8(2)9-6-13-12(14-7-9)15-11(16)10-4-3-5-17-10;1-10(2)11-7-13-12(14-8-11)9-15-3-5-16-6-4-15;1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13;1-6(2)8-4-10-9(11-5-8)12-7(3)13/h3-9H,1-2H3,(H2,15,18);3-10H,1-2H3,(H,15,16,17,18);8-10,12H,4-7H2,1-3H3;3-10H,1-2H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14,15,16);7-8,10H,3-6,9H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3,(H,10,11,12,13)
InChIKeyHTOBHQBMOVHDPO-UHFFFAOYSA-N
XLogP23.17
TPSA505.26 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002281.85
LogP ≤ 523.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (CID 158583641) is 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine is CC(=O)Nc1ncc(C(C)C)cn1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2ccccc2)nc1.CC(C)c1cnc(-n2cc(C(C)C)nn2)nc1.CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.CC(C)c1cnc(-n2cc(C3CC3)nn2)nc1.CC(C)c1cnc(CN2CCOCC2)nc1.CC(C)c1cnc(N(C)C2CCOCC2)nc1.CC(C)c1cnc(NC(=O)c2ccccc2)nc1.CC(C)c1cnc(NC(=O)c2cccs2)nc1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
The InChIKey is HTOBHQBMOVHDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N3O.C13H21N3O.C13H14N2.C12H15N5.C12H17N5.C12H13N3OS.C12H19N3O.C10H10F3N5.C9H13N3O/c1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;1-10(2)12-8-15-14(16-9-12)17-13(18)11-6-4-3-5-7-11;1-10(2)11-8-14-13(15-9-11)16(3)12-4-6-17-7-5-12;1-10(2)12-8-14-13(15-9-12)11-6-4-3-5-7-11;1-8(2)10-5-13-12(14-6-10)17-7-11(15-16-17)9-3-4-9;1-8(2)10-5-13-12(14-6-10)17-7-11(9(3)4)15-16-17;1-8(2)9-6-13-12(14-7-9)15-11(16)10-4-3-5-17-10;1-10(2)11-7-13-12(14-8-11)9-15-3-5-16-6-4-15;1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13;1-6(2)8-4-10-9(11-5-8)12-7(3)13/h3-9H,1-2H3,(H2,15,18);3-10H,1-2H3,(H,15,16,17,18);8-10,12H,4-7H2,1-3H3;3-10H,1-2H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14,15,16);7-8,10H,3-6,9H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3,(H,10,11,12,13).
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?
2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine has a molecular weight of 2281.85 g/mol, XLogP of 23.17, 27 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine is sourced from PubChem (CID 158583641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).