3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine

C90H134N6O7 — CID 158568047

IUPAC3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine
SMILESCC(=O)C(C)C.CC(C)C.CC(C)C(=O)Cc1cccc(C(C)C)c1.CC(C)C(=O)Cc1cccc(C(C)C)n1.CC(C)C(=O)Cc1cncc(C(C)C)c1.CC(C)C(=O)c1cccc(C(C)C)c1.CC(C)C(=O)c1cccc(C(C)C)n1.CC(C)C(=O)c1cncc(C(C)C)c1.c1cncnc1
InChIInChI=1S/C14H20O.2C13H19NO.C13H18O.2C12H17NO.C5H10O.C4H4N2.C4H10/c1-10(2)13-7-5-6-12(8-13)9-14(15)11(3)4;1-9(2)12-5-11(7-14-8-12)6-13(15)10(3)4;1-9(2)12-7-5-6-11(14-12)8-13(15)10(3)4;1-9(2)11-6-5-7-12(8-11)13(14)10(3)4;1-8(2)10-5-11(7-13-6-10)12(14)9(3)4;1-8(2)10-6-5-7-11(13-10)12(14)9(3)4;1-4(2)5(3)6;1-2-5-4-6-3-1;1-4(2)3/h5-8,10-11H,9H2,1-4H3;5,7-10H,6H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;4H,1-3H3;1-4H;4H,1-3H3
InChIKeyHRSNOGBOOFFAIM-UHFFFAOYSA-N
MW1412.10 g/mol
LogP22.63
Rot. Bonds22

About 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine

3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine (PubChem CID 158568047) has the molecular formula C90H134N6O7 and a molecular weight of 1412.10 g/mol. Its IUPAC name is 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine.

Molecular Properties

Compound Name3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine
PubChem CID158568047
Molecular FormulaC90H134N6O7
Molecular Weight1412.10 g/mol
Exact Mass1411.03
IUPAC Name3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine
SMILESCC(=O)C(C)C.CC(C)C.CC(C)C(=O)Cc1cccc(C(C)C)c1.CC(C)C(=O)Cc1cccc(C(C)C)n1.CC(C)C(=O)Cc1cncc(C(C)C)c1.CC(C)C(=O)c1cccc(C(C)C)c1.CC(C)C(=O)c1cccc(C(C)C)n1.CC(C)C(=O)c1cncc(C(C)C)c1.c1cncnc1
InChIInChI=1S/C14H20O.2C13H19NO.C13H18O.2C12H17NO.C5H10O.C4H4N2.C4H10/c1-10(2)13-7-5-6-12(8-13)9-14(15)11(3)4;1-9(2)12-5-11(7-14-8-12)6-13(15)10(3)4;1-9(2)12-7-5-6-11(14-12)8-13(15)10(3)4;1-9(2)11-6-5-7-12(8-11)13(14)10(3)4;1-8(2)10-5-11(7-13-6-10)12(14)9(3)4;1-8(2)10-6-5-7-11(13-10)12(14)9(3)4;1-4(2)5(3)6;1-2-5-4-6-3-1;1-4(2)3/h5-8,10-11H,9H2,1-4H3;5,7-10H,6H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;4H,1-3H3;1-4H;4H,1-3H3
InChIKeyHRSNOGBOOFFAIM-UHFFFAOYSA-N
XLogP22.63
TPSA196.83 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.10
LogP ≤ 522.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine?
The IUPAC name of 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine (CID 158568047) is 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine.
What is the SMILES notation for 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine?
The canonical SMILES for 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine is CC(=O)C(C)C.CC(C)C.CC(C)C(=O)Cc1cccc(C(C)C)c1.CC(C)C(=O)Cc1cccc(C(C)C)n1.CC(C)C(=O)Cc1cncc(C(C)C)c1.CC(C)C(=O)c1cccc(C(C)C)c1.CC(C)C(=O)c1cccc(C(C)C)n1.CC(C)C(=O)c1cncc(C(C)C)c1.c1cncnc1.
What is the InChIKey of 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine?
The InChIKey is HRSNOGBOOFFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.2C13H19NO.C13H18O.2C12H17NO.C5H10O.C4H4N2.C4H10/c1-10(2)13-7-5-6-12(8-13)9-14(15)11(3)4;1-9(2)12-5-11(7-14-8-12)6-13(15)10(3)4;1-9(2)12-7-5-6-11(14-12)8-13(15)10(3)4;1-9(2)11-6-5-7-12(8-11)13(14)10(3)4;1-8(2)10-5-11(7-13-6-10)12(14)9(3)4;1-8(2)10-6-5-7-11(13-10)12(14)9(3)4;1-4(2)5(3)6;1-2-5-4-6-3-1;1-4(2)3/h5-8,10-11H,9H2,1-4H3;5,7-10H,6H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;4H,1-3H3;1-4H;4H,1-3H3.
What are the key properties of 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine?
3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine has a molecular weight of 1412.10 g/mol, XLogP of 22.63, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-one;2-methylpropane;3-methyl-1-(3-propan-2-ylphenyl)butan-2-one;2-methyl-1-(3-propan-2-ylphenyl)propan-1-one;3-methyl-1-(5-propan-2-yl-3-pyridinyl)butan-2-one;3-methyl-1-(6-propan-2-yl-2-pyridinyl)butan-2-one;2-methyl-1-(5-propan-2-yl-3-pyridinyl)propan-1-one;2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-1-one;pyrimidine is sourced from PubChem (CID 158568047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).