4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C23H21N5 — CID 112937305

IUPAC4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1
InChIInChI=1S/C23H21N5/c1-28(20-12-6-3-7-13-20)22-15-21(19-10-4-2-5-11-19)26-23(27-22)25-17-18-9-8-14-24-16-18/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyARQMZLNRVXPOPR-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.92
Rot. Bonds6

About 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937305) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937305
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1
InChIInChI=1S/C23H21N5/c1-28(20-12-6-3-7-13-20)22-15-21(19-10-4-2-5-11-19)26-23(27-22)25-17-18-9-8-14-24-16-18/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyARQMZLNRVXPOPR-UHFFFAOYSA-N
XLogP4.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
6-phenyl-4-N-(3-phenylpropyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937291
4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937314
4-N-(2-chlorophenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937321
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952466
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
2-N-(2,4-dimethylphenyl)-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937247
2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112918107
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112937305) is 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CN(c1ccccc1)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1.
What is the InChIKey of 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ARQMZLNRVXPOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-28(20-12-6-3-7-13-20)22-15-21(19-10-4-2-5-11-19)26-23(27-22)25-17-18-9-8-14-24-16-18/h2-16H,17H2,1H3,(H,25,26,27).
What are the key properties of 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 367.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N,6-diphenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).