4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine

C19H20N4 — CID 112859471

IUPAC4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C19H20N4/c1-15-8-6-7-11-17(15)22-18-12-19(21-14-20-18)23(2)13-16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,20,21,22)
InChIKeyJWRCPBKXHJWLCE-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.17
Rot. Bonds5

About 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine

4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112859471) 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-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112859471
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C19H20N4/c1-15-8-6-7-11-17(15)22-18-12-19(21-14-20-18)23(2)13-16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,20,21,22)
InChIKeyJWRCPBKXHJWLCE-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-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
4-N-benzyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859540
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
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-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859467
4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112866961
6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112859466

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 112859471) is 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine is Cc1ccccc1Nc1cc(N(C)Cc2ccccc2)ncn1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is JWRCPBKXHJWLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-15-8-6-7-11-17(15)22-18-12-19(21-14-20-18)23(2)13-16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine?
4-N-benzyl-4-N-methyl-6-N-(2-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-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112859471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).