4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C22H18ClN5 — CID 112881334

IUPAC4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18ClN5/c23-17-9-11-18(12-10-17)26-21-14-20(25-15-19-8-4-5-13-24-19)27-22(28-21)16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyRYMUEWKODOHLLG-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.55
Rot. Bonds6

About 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112881334) has the molecular formula C22H18ClN5 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112881334
Molecular FormulaC22H18ClN5
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18ClN5/c23-17-9-11-18(12-10-17)26-21-14-20(25-15-19-8-4-5-13-24-19)27-22(28-21)16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyRYMUEWKODOHLLG-UHFFFAOYSA-N
XLogP5.55
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873291
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112854063
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860699
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-chlorophenyl)-2-phenylpyrimidine-4,6-diamine
CID 171320844
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881231
4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352
2-N-(4-ethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937134
2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 43343491

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112881334) is 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is Clc1ccc(Nc2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is RYMUEWKODOHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5/c23-17-9-11-18(12-10-17)26-21-14-20(25-15-19-8-4-5-13-24-19)27-22(28-21)16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26,27,28).
What are the key properties of 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 387.87 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112881334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).