2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine

C86H133ClF3N21O9 — CID 159487969

IUPAC2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)nn1.COC(=O)c1ccc(C(C)C)nn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N(C)CCO)n1.Cc1cc(C(C)C)nc(N(CCO)CCO)n1.Cc1cc(C(C)C)nc(N2C(CO)CCC2CO)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N3O2.C12H21N3O2.C12H19N3O.C11H17N3O.C11H19N3O.C9H11F3N2.C9H12N2O2.C8H11ClN2/c1-9(2)13-6-10(3)15-14(16-13)17-11(7-18)4-5-12(17)8-19;1-9(2)11-8-10(3)13-12(14-11)15(4-6-16)5-7-17;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-8(2)10-7-9(3)12-11(13-10)14(4)5-6-15;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7/h6,9,11-12,18-19H,4-5,7-8H2,1-3H3;8-9,16-17H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-4,9H,5-8H2,1-2H3;7-8,15H,5-6H2,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyLXVAMQFKDCFVNC-UHFFFAOYSA-N
MW1697.59 g/mol
LogP13.32
Rot. Bonds22

About 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine

2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine (PubChem CID 159487969) has the molecular formula C86H133ClF3N21O9 and a molecular weight of 1697.59 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine
PubChem CID159487969
Molecular FormulaC86H133ClF3N21O9
Molecular Weight1697.59 g/mol
Exact Mass1696.02
IUPAC Name2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)nn1.COC(=O)c1ccc(C(C)C)nn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N(C)CCO)n1.Cc1cc(C(C)C)nc(N(CCO)CCO)n1.Cc1cc(C(C)C)nc(N2C(CO)CCC2CO)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N3O2.C12H21N3O2.C12H19N3O.C11H17N3O.C11H19N3O.C9H11F3N2.C9H12N2O2.C8H11ClN2/c1-9(2)13-6-10(3)15-14(16-13)17-11(7-18)4-5-12(17)8-19;1-9(2)11-8-10(3)13-12(14-11)15(4-6-16)5-7-17;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-8(2)10-7-9(3)12-11(13-10)14(4)5-6-15;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7/h6,9,11-12,18-19H,4-5,7-8H2,1-3H3;8-9,16-17H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-4,9H,5-8H2,1-2H3;7-8,15H,5-6H2,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyLXVAMQFKDCFVNC-UHFFFAOYSA-N
XLogP13.32
TPSA368.35 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.59
LogP ≤ 513.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine?
The IUPAC name of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine (CID 159487969) is 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine.
What is the SMILES notation for 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine?
The canonical SMILES for 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine is CC(C)c1ccc(N2CCOCC2)nn1.COC(=O)c1ccc(C(C)C)nn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N(C)CCO)n1.Cc1cc(C(C)C)nc(N(CCO)CCO)n1.Cc1cc(C(C)C)nc(N2C(CO)CCC2CO)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine?
The InChIKey is LXVAMQFKDCFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C12H21N3O2.C12H19N3O.C11H17N3O.C11H19N3O.C9H11F3N2.C9H12N2O2.C8H11ClN2/c1-9(2)13-6-10(3)15-14(16-13)17-11(7-18)4-5-12(17)8-19;1-9(2)11-8-10(3)13-12(14-11)15(4-6-16)5-7-17;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-8(2)10-7-9(3)12-11(13-10)14(4)5-6-15;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7/h6,9,11-12,18-19H,4-5,7-8H2,1-3H3;8-9,16-17H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-4,9H,5-8H2,1-2H3;7-8,15H,5-6H2,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine?
2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine has a molecular weight of 1697.59 g/mol, XLogP of 13.32, 22 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine is sourced from PubChem (CID 159487969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).