6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile

C16H16N4O — CID 39380251

IUPAC6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
SMILESCOc1ccccc1-c1cc(C#N)nc(N2CCCC2)n1
InChIInChI=1S/C16H16N4O/c1-21-15-7-3-2-6-13(15)14-10-12(11-17)18-16(19-14)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyVPPVQFJCVQMURJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.62
Rot. Bonds3

About 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile

6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile (PubChem CID 39380251) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
PubChem CID39380251
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
SMILESCOc1ccccc1-c1cc(C#N)nc(N2CCCC2)n1
InChIInChI=1S/C16H16N4O/c1-21-15-7-3-2-6-13(15)14-10-12(11-17)18-16(19-14)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyVPPVQFJCVQMURJ-UHFFFAOYSA-N
XLogP2.62
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822634
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191849
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile
CID 39246998
4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline
CID 19605460
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile (CID 39380251) is 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile is COc1ccccc1-c1cc(C#N)nc(N2CCCC2)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile?
The InChIKey is VPPVQFJCVQMURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-15-7-3-2-6-13(15)14-10-12(11-17)18-16(19-14)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile?
6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 39380251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).