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

C14H19N5O — CID 115376291

IUPAC4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(Nc2ccc(C)c(N(C)C)c2)c1N
InChIInChI=1S/C14H19N5O/c1-9-5-6-10(7-11(9)19(2)3)18-13-12(15)14(20-4)17-8-16-13/h5-8H,15H2,1-4H3,(H,16,17,18)
InChIKeyTVPQGNOPHLAXQL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds4

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

4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine (PubChem CID 115376291) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
PubChem CID115376291
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(Nc2ccc(C)c(N(C)C)c2)c1N
InChIInChI=1S/C14H19N5O/c1-9-5-6-10(7-11(9)19(2)3)18-13-12(15)14(20-4)17-8-16-13/h5-8H,15H2,1-4H3,(H,16,17,18)
InChIKeyTVPQGNOPHLAXQL-UHFFFAOYSA-N
XLogP2.19
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379769
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
CID 104725895
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379768
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 115379675
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine (CID 115376291) is 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine is COc1ncnc(Nc2ccc(C)c(N(C)C)c2)c1N.
What is the InChIKey of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine?
The InChIKey is TVPQGNOPHLAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-5-6-10(7-11(9)19(2)3)18-13-12(15)14(20-4)17-8-16-13/h5-8H,15H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine?
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 115376291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).