2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile

C17H10Cl2N4 — CID 166626613

IUPAC2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H10Cl2N4/c18-12-5-1-3-10(7-12)15-14(9-20)16(23-17(21)22-15)11-4-2-6-13(19)8-11/h1-8H,(H2,21,22,23)
InChIKeyDUBWJRNGMFSKHY-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.57
Rot. Bonds2

About 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile

2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile (PubChem CID 166626613) has the molecular formula C17H10Cl2N4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile
PubChem CID166626613
Molecular FormulaC17H10Cl2N4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H10Cl2N4/c18-12-5-1-3-10(7-12)15-14(9-20)16(23-17(21)22-15)11-4-2-6-13(19)8-11/h1-8H,(H2,21,22,23)
InChIKeyDUBWJRNGMFSKHY-UHFFFAOYSA-N
XLogP4.57
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile (CID 166626613) is 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile?
The InChIKey is DUBWJRNGMFSKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4/c18-12-5-1-3-10(7-12)15-14(9-20)16(23-17(21)22-15)11-4-2-6-13(19)8-11/h1-8H,(H2,21,22,23).
What are the key properties of 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile?
2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile has a molecular weight of 341.20 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(3-chlorophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 166626613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).