N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

C21H16ClN5 — CID 4581418

IUPACN-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESClc1ccc(CNc2cc(-c3cccnc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H16ClN5/c22-18-5-3-15(4-6-18)13-25-20-12-19(17-2-1-9-24-14-17)26-21(27-20)16-7-10-23-11-8-16/h1-12,14H,13H2,(H,25,26,27)
InChIKeyDILBPMHBRXZKLI-UHFFFAOYSA-N
MW373.85 g/mol
LogP4.87
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 4581418) has the molecular formula C21H16ClN5 and a molecular weight of 373.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID4581418
Molecular FormulaC21H16ClN5
Molecular Weight373.85 g/mol
Exact Mass373.11
IUPAC NameN-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESClc1ccc(CNc2cc(-c3cccnc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H16ClN5/c22-18-5-3-15(4-6-18)13-25-20-12-19(17-2-1-9-24-14-17)26-21(27-20)16-7-10-23-11-8-16/h1-12,14H,13H2,(H,25,26,27)
InChIKeyDILBPMHBRXZKLI-UHFFFAOYSA-N
XLogP4.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (CID 4581418) is N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is Clc1ccc(CNc2cc(-c3cccnc3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is DILBPMHBRXZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5/c22-18-5-3-15(4-6-18)13-25-20-12-19(17-2-1-9-24-14-17)26-21(27-20)16-7-10-23-11-8-16/h1-12,14H,13H2,(H,25,26,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 373.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 4581418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).