4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile

C14H11ClN4 — CID 80949261

IUPAC4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C14H11ClN4/c15-12-7-13(19-14(18-12)10-3-4-10)17-11-5-1-9(8-16)2-6-11/h1-2,5-7,10H,3-4H2,(H,17,18,19)
InChIKeyYVUCGLVSUUKFHC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.62
Rot. Bonds3

About 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile

4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 80949261) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
PubChem CID80949261
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C14H11ClN4/c15-12-7-13(19-14(18-12)10-3-4-10)17-11-5-1-9(8-16)2-6-11/h1-2,5-7,10H,3-4H2,(H,17,18,19)
InChIKeyYVUCGLVSUUKFHC-UHFFFAOYSA-N
XLogP3.62
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
CID 107576837
6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133421758
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112867629
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80982222
6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459310
4-[[2-chloro-6-(4-cyanoanilino)-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 127027057
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile (CID 80949261) is 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile is N#Cc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is YVUCGLVSUUKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-12-7-13(19-14(18-12)10-3-4-10)17-11-5-1-9(8-16)2-6-11/h1-2,5-7,10H,3-4H2,(H,17,18,19).
What are the key properties of 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile?
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 270.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 80949261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).