4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C16H23N5 — CID 115379675

IUPAC4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H23N5/c1-6-13-15(17-3)18-10-19-16(13)20-12-8-7-11(2)14(9-12)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyWWLWGZBOSUWUSM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.20
Rot. Bonds5

About 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 115379675) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID115379675
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H23N5/c1-6-13-15(17-3)18-10-19-16(13)20-12-8-7-11(2)14(9-12)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyWWLWGZBOSUWUSM-UHFFFAOYSA-N
XLogP3.20
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379768
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methylbenzonitrile
CID 80822377
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291
1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379769
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 115379675) is 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is WWLWGZBOSUWUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-6-13-15(17-3)18-10-19-16(13)20-12-8-7-11(2)14(9-12)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115379675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).