4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile

C14H10Cl2N4 — CID 86617255

IUPAC4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N4/c15-11-4-2-1-3-9(11)12-10(7-17)13(16)20-14(19-12)18-8-5-6-8/h1-4,8H,5-6H2,(H,18,19,20)
InChIKeyMWXBUYGGOUSHJO-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.90
Rot. Bonds3

About 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile

4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile (PubChem CID 86617255) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile
PubChem CID86617255
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N4/c15-11-4-2-1-3-9(11)12-10(7-17)13(16)20-14(19-12)18-8-5-6-8/h1-4,8H,5-6H2,(H,18,19,20)
InChIKeyMWXBUYGGOUSHJO-UHFFFAOYSA-N
XLogP3.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
5-(Aminomethyl)-2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10309373
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
CID 11688776
N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4-Diamine
CID 73389731
4-[[4-Amino-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-yl]amino]benzonitrile
CID 486363
5-(Aminomethyl)-6-(2-chlorophenyl)-2-phenylpyrimidin-4-amine
CID 10125645
(4-Chloro-benzyl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 2968165
(2-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide
CID 893480
4-[[4-(2-Cyanoethylamino)-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-yl]amino]benzonitrile
CID 10025306
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine
CID 10149409
5-Aminomethyl-6-(2,4-dichloro-phenyl)-2-methoxy-pyrimidin-4-ylamine
CID 10149532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile (CID 86617255) is 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1Cl.
What is the InChIKey of 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
The InChIKey is MWXBUYGGOUSHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-11-4-2-1-3-9(11)12-10(7-17)13(16)20-14(19-12)18-8-5-6-8/h1-4,8H,5-6H2,(H,18,19,20).
What are the key properties of 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile has a molecular weight of 305.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 86617255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).