2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile

C18H14N4O — CID 163196347

IUPAC2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C18H14N4O/c1-23-14-9-5-8-13(10-14)17-15(11-19)16(21-18(20)22-17)12-6-3-2-4-7-12/h2-10H,1H3,(H2,20,21,22)
InChIKeyXSVZFWPNIDCBRR-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile

2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 163196347) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID163196347
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C18H14N4O/c1-23-14-9-5-8-13(10-14)17-15(11-19)16(21-18(20)22-17)12-6-3-2-4-7-12/h2-10H,1H3,(H2,20,21,22)
InChIKeyXSVZFWPNIDCBRR-UHFFFAOYSA-N
XLogP3.27
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2,4-diamino-6-[3-(2-phenylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397662
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
6-(3-methoxyphenyl)-5-(2-pyridin-3-ylethynyl)pyrimidine-2,4-diamine
CID 58513170
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2,4-diamino-6-[3-(naphthalen-1-ylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397529

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile (CID 163196347) is 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile is COc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is XSVZFWPNIDCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-9-5-8-13(10-14)17-15(11-19)16(21-18(20)22-17)12-6-3-2-4-7-12/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163196347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).