6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile

C17H19N5O — CID 697203

IUPAC6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H19N5O/c1-21-7-9-22(10-8-21)17-19-14(12-18)11-16(20-17)13-3-5-15(23-2)6-4-13/h3-6,11H,7-10H2,1-2H3
InChIKeyBJFQOTJNLNGRAJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.78
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile

6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 697203) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
PubChem CID697203
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H19N5O/c1-21-7-9-22(10-8-21)17-19-14(12-18)11-16(20-17)13-3-5-15(23-2)6-4-13/h3-6,11H,7-10H2,1-2H3
InChIKeyBJFQOTJNLNGRAJ-UHFFFAOYSA-N
XLogP1.78
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
Enecadin
CID 6433114
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile (CID 697203) is 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile is COc1ccc(-c2cc(C#N)nc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is BJFQOTJNLNGRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-7-9-22(10-8-21)17-19-14(12-18)11-16(20-17)13-3-5-15(23-2)6-4-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 697203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).