2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile

C14H9N5 — CID 107544362

IUPAC2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C14H9N5/c15-8-11-5-6-16-14(18-11)19-12-7-10-3-1-2-4-13(10)17-9-12/h1-7,9H,(H,16,18,19)
InChIKeyPBUIHXABQXLWTO-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.64
Rot. Bonds2

About 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile

2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107544362) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
PubChem CID107544362
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C14H9N5/c15-8-11-5-6-16-14(18-11)19-12-7-10-3-1-2-4-13(10)17-9-12/h1-7,9H,(H,16,18,19)
InChIKeyPBUIHXABQXLWTO-UHFFFAOYSA-N
XLogP2.64
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(quinolin-3-ylamino)pyridine-2-carbonitrile
CID 64595711
2-anilinopyrimidine-4-carbonitrile
CID 19392543
2-(quinolin-3-ylamino)pyridine-4-carbonitrile
CID 62783439
2-N-(4-nitrophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826973
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
5-bromo-2-(quinolin-3-ylamino)benzonitrile
CID 114890644
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559
2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
CID 107544315
2-(2,6-dichloroanilino)pyrimidine-4-carbonitrile
CID 107544709
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
N-(3-bromo-4-pyridinyl)quinolin-3-amine
CID 113452158
2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826934

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile (CID 107544362) is 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile is N#Cc1ccnc(Nc2cnc3ccccc3c2)n1.
What is the InChIKey of 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is PBUIHXABQXLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c15-8-11-5-6-16-14(18-11)19-12-7-10-3-1-2-4-13(10)17-9-12/h1-7,9H,(H,16,18,19).
What are the key properties of 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile?
2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).