5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine

C18H18N4O — CID 10236557

IUPAC5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
SMILESCOc1ccccc1-c1nc(-c2ccccc2)nc(N)c1CN
InChIInChI=1S/C18H18N4O/c1-23-15-10-6-5-9-13(15)16-14(11-19)17(20)22-18(21-16)12-7-3-2-4-8-12/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeyWATHNSGVYPMULE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.86
Rot. Bonds4

About 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 10236557) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
PubChem CID10236557
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
SMILESCOc1ccccc1-c1nc(-c2ccccc2)nc(N)c1CN
InChIInChI=1S/C18H18N4O/c1-23-15-10-6-5-9-13(15)16-14(11-19)17(20)22-18(21-16)12-7-3-2-4-8-12/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeyWATHNSGVYPMULE-UHFFFAOYSA-N
XLogP2.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CP-31398
CID 9950868
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195124
5-[3-[3-Methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195125
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CID 53346505
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365
5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 44144378
5-((3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144379
5-((3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144380

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine (CID 10236557) is 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine is COc1ccccc1-c1nc(-c2ccccc2)nc(N)c1CN.
What is the InChIKey of 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is WATHNSGVYPMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-23-15-10-6-5-9-13(15)16-14(11-19)17(20)22-18(21-16)12-7-3-2-4-8-12/h2-10H,11,19H2,1H3,(H2,20,21,22).
What are the key properties of 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 10236557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).