6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile

C11H9ClN4 — CID 142635065

IUPAC6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile
SMILESN#CC1=C(N)NC(c2ccccc2Cl)=NC1
InChIInChI=1S/C11H9ClN4/c12-9-4-2-1-3-8(9)11-15-6-7(5-13)10(14)16-11/h1-4H,6,14H2,(H,15,16)
InChIKeyWHTZHCARHCGUJD-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.38
Rot. Bonds1

About 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile

6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile (PubChem CID 142635065) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile
PubChem CID142635065
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile
SMILESN#CC1=C(N)NC(c2ccccc2Cl)=NC1
InChIInChI=1S/C11H9ClN4/c12-9-4-2-1-3-8(9)11-15-6-7(5-13)10(14)16-11/h1-4H,6,14H2,(H,15,16)
InChIKeyWHTZHCARHCGUJD-UHFFFAOYSA-N
XLogP1.38
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile?
The IUPAC name of 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile (CID 142635065) is 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile.
What is the SMILES notation for 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile?
The canonical SMILES for 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile is N#CC1=C(N)NC(c2ccccc2Cl)=NC1.
What is the InChIKey of 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile?
The InChIKey is WHTZHCARHCGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-9-4-2-1-3-8(9)11-15-6-7(5-13)10(14)16-11/h1-4H,6,14H2,(H,15,16).
What are the key properties of 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile?
6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile has a molecular weight of 232.67 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile is sourced from PubChem (CID 142635065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).