4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine

C21H24N4 — CID 112859420

IUPAC4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C21H24N4/c1-3-25(16-19-12-8-5-9-13-19)21-14-20(22-17-23-21)24(2)15-18-10-6-4-7-11-18/h4-14,17H,3,15-16H2,1-2H3
InChIKeyGDGMSLNLUTUMOY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.14
Rot. Bonds7

About 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 112859420) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID112859420
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C21H24N4/c1-3-25(16-19-12-8-5-9-13-19)21-14-20(22-17-23-21)24(2)15-18-10-6-4-7-11-18/h4-14,17H,3,15-16H2,1-2H3
InChIKeyGDGMSLNLUTUMOY-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112859466
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705
N,N-dibenzyl-6-chloropyrimidin-4-amine
CID 130157763
4-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 112860551
6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
CID 100640999
4-N-benzyl-6-N-(3-bromophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859531
4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859491

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 112859420) is 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine is CCN(Cc1ccccc1)c1cc(N(C)Cc2ccccc2)ncn1.
What is the InChIKey of 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is GDGMSLNLUTUMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-25(16-19-12-8-5-9-13-19)21-14-20(22-17-23-21)24(2)15-18-10-6-4-7-11-18/h4-14,17H,3,15-16H2,1-2H3.
What are the key properties of 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).