2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine

C17H16N4O — CID 117090011

IUPAC2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(Nc3ccccc3)n2)cn1
InChIInChI=1S/C17H16N4O/c1-12-10-15(20-14-6-4-3-5-7-14)21-17(19-12)13-8-9-16(22-2)18-11-13/h3-11H,1-2H3,(H,19,20,21)
InChIKeyNLXVDQHDKZFMFQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.60
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine

2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine (PubChem CID 117090011) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
PubChem CID117090011
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(Nc3ccccc3)n2)cn1
InChIInChI=1S/C17H16N4O/c1-12-10-15(20-14-6-4-3-5-7-14)21-17(19-12)13-8-9-16(22-2)18-11-13/h3-11H,1-2H3,(H,19,20,21)
InChIKeyNLXVDQHDKZFMFQ-UHFFFAOYSA-N
XLogP3.60
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
2-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117079759
N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117089476
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
CID 117084081
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
CID 162654149
4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
CID 3043892
8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117094362
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
N-ethyl-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 114938334
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine (CID 117090011) is 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine is COc1ccc(-c2nc(C)cc(Nc3ccccc3)n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is NLXVDQHDKZFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-10-15(20-14-6-4-3-5-7-14)21-17(19-12)13-8-9-16(22-2)18-11-13/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine?
2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 117090011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).