6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C16H22N4 — CID 80791987

IUPAC6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccc(C)c2)c1CC
InChIInChI=1S/C16H22N4/c1-4-14-15(17-5-2)19-11-20-16(14)18-10-13-8-6-7-12(3)9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJWWICKSOGHTDJO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.39
Rot. Bonds6

About 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80791987) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID80791987
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccc(C)c2)c1CC
InChIInChI=1S/C16H22N4/c1-4-14-15(17-5-2)19-11-20-16(14)18-10-13-8-6-7-12(3)9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJWWICKSOGHTDJO-UHFFFAOYSA-N
XLogP3.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
N,5-diethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80888888
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 110874931
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 80791987) is 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2cccc(C)c2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is JWWICKSOGHTDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-14-15(17-5-2)19-11-20-16(14)18-10-13-8-6-7-12(3)9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80791987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).