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

C10H13N5 — CID 107543268

IUPAC2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCN1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C10H13N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-7H2,1H3
InChIKeyUCBFDTFOFJFMPR-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.10
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107543268) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107543268
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCN1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C10H13N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-7H2,1H3
InChIKeyUCBFDTFOFJFMPR-UHFFFAOYSA-N
XLogP0.10
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 171999793
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163356398
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107543802
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155798318
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155973955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile (CID 107543268) is 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile is CN1CCN(c2nccc(C#N)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is UCBFDTFOFJFMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).