4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C17H17N5 — CID 112889409

IUPAC4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C17H17N5/c1-2-5-14(6-3-1)12-20-16-8-10-19-17(22-16)21-13-15-7-4-9-18-11-15/h1-11H,12-13H2,(H2,19,20,21,22)
InChIKeyNKMAHLROOFNYBG-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.10
Rot. Bonds6

About 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112889409) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112889409
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C17H17N5/c1-2-5-14(6-3-1)12-20-16-8-10-19-17(22-16)21-13-15-7-4-9-18-11-15/h1-11H,12-13H2,(H2,19,20,21,22)
InChIKeyNKMAHLROOFNYBG-UHFFFAOYSA-N
XLogP3.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
2-N-(2-propan-2-ylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893465
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614
2-[[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112893660
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112889409) is 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is c1ccc(CNc2ccnc(NCc3cccnc3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NKMAHLROOFNYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-5-14(6-3-1)12-20-16-8-10-19-17(22-16)21-13-15-7-4-9-18-11-15/h1-11H,12-13H2,(H2,19,20,21,22).
What are the key properties of 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).