4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine

C19H20N4 — CID 112859473

IUPAC4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H20N4/c1-15-8-10-17(11-9-15)22-18-12-19(21-14-20-18)23(2)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,20,21,22)
InChIKeyBGMNIQCUHFBKMM-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.17
Rot. Bonds5

About 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine

4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112859473) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112859473
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H20N4/c1-15-8-10-17(11-9-15)22-18-12-19(21-14-20-18)23(2)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,20,21,22)
InChIKeyBGMNIQCUHFBKMM-UHFFFAOYSA-N
XLogP4.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859491
4-N-benzyl-6-N-(3-bromophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859531
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
4-N-benzyl-4-N-methyl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
tert-butyl N-[[benzyl(methyl)amino]methyl]-N-[6-(4-methylanilino)pyrimidin-4-yl]carbamate
CID 146225357
4-N-benzyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859540
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
4-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 112860551
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 112859473) is 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N(C)Cc3ccccc3)ncn2)cc1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is BGMNIQCUHFBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-15-8-10-17(11-9-15)22-18-12-19(21-14-20-18)23(2)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine?
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112859473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).