[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine

C16H21N3O — CID 95474508

IUPAC[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
SMILESCc1cc(-c2ccc(OC(C)C)c(C)c2)nc(CN)n1
InChIInChI=1S/C16H21N3O/c1-10(2)20-15-6-5-13(7-11(15)3)14-8-12(4)18-16(9-17)19-14/h5-8,10H,9,17H2,1-4H3
InChIKeyCEXDDOMRHURNEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds4

About [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine

[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine (PubChem CID 95474508) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
PubChem CID95474508
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
SMILESCc1cc(-c2ccc(OC(C)C)c(C)c2)nc(CN)n1
InChIInChI=1S/C16H21N3O/c1-10(2)20-15-6-5-13(7-11(15)3)14-8-12(4)18-16(9-17)19-14/h5-8,10H,9,17H2,1-4H3
InChIKeyCEXDDOMRHURNEP-UHFFFAOYSA-N
XLogP3.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95475893
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
CID 11404593
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 82191630

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine (CID 95474508) is [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine is Cc1cc(-c2ccc(OC(C)C)c(C)c2)nc(CN)n1.
What is the InChIKey of [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine?
The InChIKey is CEXDDOMRHURNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)20-15-6-5-13(7-11(15)3)14-8-12(4)18-16(9-17)19-14/h5-8,10H,9,17H2,1-4H3.
What are the key properties of [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine?
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 95474508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).