2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile

C9H7N5 — CID 107552061

IUPAC2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nn2cccc2)n1
InChIInChI=1S/C9H7N5/c10-7-8-3-4-11-9(12-8)13-14-5-1-2-6-14/h1-6H,(H,11,12,13)
InChIKeyFAGYHPUUOCFNET-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.02
Rot. Bonds2

About 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile

2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107552061) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile
PubChem CID107552061
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nn2cccc2)n1
InChIInChI=1S/C9H7N5/c10-7-8-3-4-11-9(12-8)13-14-5-1-2-6-14/h1-6H,(H,11,12,13)
InChIKeyFAGYHPUUOCFNET-UHFFFAOYSA-N
XLogP1.02
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilinopyrimidine-4-carbonitrile
CID 19392543
2-(2,6-dichloroanilino)pyrimidine-4-carbonitrile
CID 107544709
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
CID 106185915
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
CID 107543299
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
CID 107543189
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543643

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile (CID 107552061) is 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile is N#Cc1ccnc(Nn2cccc2)n1.
What is the InChIKey of 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is FAGYHPUUOCFNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-7-8-3-4-11-9(12-8)13-14-5-1-2-6-14/h1-6H,(H,11,12,13).
What are the key properties of 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile?
2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).