2-anilinopyrimidine-4-carbonitrile

C11H8N4 — CID 19392543

IUPAC2-anilinopyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C11H8N4/c12-8-10-6-7-13-11(15-10)14-9-4-2-1-3-5-9/h1-7H,(H,13,14,15)
InChIKeyOQDRMSRFKYKYIC-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.09
Rot. Bonds2

About 2-anilinopyrimidine-4-carbonitrile

2-anilinopyrimidine-4-carbonitrile (PubChem CID 19392543) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-anilinopyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-anilinopyrimidine-4-carbonitrile
PubChem CID19392543
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-anilinopyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C11H8N4/c12-8-10-6-7-13-11(15-10)14-9-4-2-1-3-5-9/h1-7H,(H,13,14,15)
InChIKeyOQDRMSRFKYKYIC-UHFFFAOYSA-N
XLogP2.09
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
CID 107544362
2-(2,6-dichloroanilino)pyrimidine-4-carbonitrile
CID 107544709
2-(4-butylanilino)pyrimidine-4-carbonitrile
CID 107543659
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559
2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
CID 107544315
2-bromo-5-[(4-cyanopyrimidin-2-yl)amino]benzoic acid
CID 107543129
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile
CID 107552061
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
CID 107543299
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386
2-(3-bromo-4-methoxyanilino)pyrimidine-4-carbonitrile
CID 107544716
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732

Frequently Asked Questions

What is the IUPAC name of 2-anilinopyrimidine-4-carbonitrile?
The IUPAC name of 2-anilinopyrimidine-4-carbonitrile (CID 19392543) is 2-anilinopyrimidine-4-carbonitrile.
What is the SMILES notation for 2-anilinopyrimidine-4-carbonitrile?
The canonical SMILES for 2-anilinopyrimidine-4-carbonitrile is N#Cc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilinopyrimidine-4-carbonitrile?
The InChIKey is OQDRMSRFKYKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-8-10-6-7-13-11(15-10)14-9-4-2-1-3-5-9/h1-7H,(H,13,14,15).
What are the key properties of 2-anilinopyrimidine-4-carbonitrile?
2-anilinopyrimidine-4-carbonitrile has a molecular weight of 196.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopyrimidine-4-carbonitrile is sourced from PubChem (CID 19392543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).