[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine

C17H13Cl2N3 — CID 134228140

IUPAC[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine
SMILESNCc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13Cl2N3/c18-13-5-1-11(2-6-13)15-10-21-16(9-20)22-17(15)12-3-7-14(19)8-4-12/h1-8,10H,9,20H2
InChIKeyHVLPZZVKKJTDBA-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.58
Rot. Bonds3

About [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine

[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine (PubChem CID 134228140) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine
PubChem CID134228140
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine
SMILESNCc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13Cl2N3/c18-13-5-1-11(2-6-13)15-10-21-16(9-20)22-17(15)12-3-7-14(19)8-4-12/h1-8,10H,9,20H2
InChIKeyHVLPZZVKKJTDBA-UHFFFAOYSA-N
XLogP4.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine (CID 134228140) is [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine is NCc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine?
The InChIKey is HVLPZZVKKJTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c18-13-5-1-11(2-6-13)15-10-21-16(9-20)22-17(15)12-3-7-14(19)8-4-12/h1-8,10H,9,20H2.
What are the key properties of [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine?
[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine has a molecular weight of 330.22 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 134228140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).