2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile

C17H11ClN4 — CID 166630702

IUPAC2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H11ClN4/c18-13-8-4-7-12(9-13)16-14(10-19)15(21-17(20)22-16)11-5-2-1-3-6-11/h1-9H,(H2,20,21,22)
InChIKeyLYHGCXADSYJYPC-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.92
Rot. Bonds2

About 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile

2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166630702) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166630702
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H11ClN4/c18-13-8-4-7-12(9-13)16-14(10-19)15(21-17(20)22-16)11-5-2-1-3-6-11/h1-9H,(H2,20,21,22)
InChIKeyLYHGCXADSYJYPC-UHFFFAOYSA-N
XLogP3.92
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166630702) is 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is LYHGCXADSYJYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-13-8-4-7-12(9-13)16-14(10-19)15(21-17(20)22-16)11-5-2-1-3-6-11/h1-9H,(H2,20,21,22).
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 306.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166630702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).