4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C19H21N5 — CID 112872175

IUPAC4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccn2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-15-22-18(21-13-17-10-6-7-11-20-17)12-19(23-15)24(2)14-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3,(H,21,22,23)
InChIKeyKGDUVLFKOPCADH-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.43
Rot. Bonds6

About 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112872175) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112872175
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccn2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-15-22-18(21-13-17-10-6-7-11-20-17)12-19(23-15)24(2)14-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3,(H,21,22,23)
InChIKeyKGDUVLFKOPCADH-UHFFFAOYSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872173
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873361
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873221
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112872175) is 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(NCc2ccccn2)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KGDUVLFKOPCADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-15-22-18(21-13-17-10-6-7-11-20-17)12-19(23-15)24(2)14-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).