6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine

C16H18N6O2 — CID 71681187

IUPAC6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCOc1ccc(OC)c(N(C)c2cnc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C16H18N6O2/c1-22(12-7-10(23-2)4-5-13(12)24-3)9-6-11-14(17)20-16(18)21-15(11)19-8-9/h4-8H,1-3H3,(H4,17,18,19,20,21)
InChIKeyVHKILYSDDJYXFA-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.97
Rot. Bonds4

About 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine

6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine (PubChem CID 71681187) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
PubChem CID71681187
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCOc1ccc(OC)c(N(C)c2cnc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C16H18N6O2/c1-22(12-7-10(23-2)4-5-13(12)24-3)9-6-11-14(17)20-16(18)21-15(11)19-8-9/h4-8H,1-3H3,(H4,17,18,19,20,21)
InChIKeyVHKILYSDDJYXFA-UHFFFAOYSA-N
XLogP1.97
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine 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

6-[(3,5-dimethoxy-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 101123264
6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 20978629
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine
CID 67752154
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822972
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679
6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 68921020
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
CID 21058626

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine (CID 71681187) is 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine is COc1ccc(OC)c(N(C)c2cnc3nc(N)nc(N)c3c2)c1.
What is the InChIKey of 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
The InChIKey is VHKILYSDDJYXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-22(12-7-10(23-2)4-5-13(12)24-3)9-6-11-14(17)20-16(18)21-15(11)19-8-9/h4-8H,1-3H3,(H4,17,18,19,20,21).
What are the key properties of 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine has a molecular weight of 326.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethoxyphenyl)-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71681187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).