[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine

C13H15N3O — CID 83864402

IUPAC[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1cc(CN)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N3O/c1-9-3-5-10(6-4-9)13-15-11(8-14)7-12(16-13)17-2/h3-7H,8,14H2,1-2H3
InChIKeyBVVFHTHNMPJIPM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds3

About [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine

[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine (PubChem CID 83864402) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
PubChem CID83864402
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCOc1cc(CN)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N3O/c1-9-3-5-10(6-4-9)13-15-11(8-14)7-12(16-13)17-2/h3-7H,8,14H2,1-2H3
InChIKeyBVVFHTHNMPJIPM-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
(2-bromo-6-methoxypyrimidin-4-yl)methanamine
CID 83852368
(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
2-(4-fluorophenyl)-6-methoxypyrimidin-4-amine
CID 83864400
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine
CID 95923003
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
[4-(4-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474358
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183
4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 175949920

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine (CID 83864402) is [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine is COc1cc(CN)nc(-c2ccc(C)cc2)n1.
What is the InChIKey of [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is BVVFHTHNMPJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-5-10(6-4-9)13-15-11(8-14)7-12(16-13)17-2/h3-7H,8,14H2,1-2H3.
What are the key properties of [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine?
[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 83864402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).