2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile

C16H17N5O — CID 163343712

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESCOc1ccccc1N1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C16H17N5O/c1-22-15-5-3-2-4-14(15)20-8-10-21(11-9-20)16-18-7-6-13(12-17)19-16/h2-7H,8-11H2,1H3
InChIKeyZYCQIMFLRWKMCI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile

2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 163343712) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
PubChem CID163343712
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESCOc1ccccc1N1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C16H17N5O/c1-22-15-5-3-2-4-14(15)20-8-10-21(11-9-20)16-18-7-6-13(12-17)19-16/h2-7H,8-11H2,1H3
InChIKeyZYCQIMFLRWKMCI-UHFFFAOYSA-N
XLogP1.68
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815321
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile (CID 163343712) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile is COc1ccccc1N1CCN(c2nccc(C#N)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is ZYCQIMFLRWKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-15-5-3-2-4-14(15)20-8-10-21(11-9-20)16-18-7-6-13(12-17)19-16/h2-7H,8-11H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 163343712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).