6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

C17H25N7O — CID 19144132

IUPAC6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccccc1Nc1ncnc(NN2CCN(C)CC2)c1N
InChIInChI=1S/C17H25N7O/c1-3-25-14-7-5-4-6-13(14)21-16-15(18)17(20-12-19-16)22-24-10-8-23(2)9-11-24/h4-7,12H,3,8-11,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyRDQNTUYABGYIID-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.78
Rot. Bonds6

About 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (PubChem CID 19144132) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
PubChem CID19144132
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccccc1Nc1ncnc(NN2CCN(C)CC2)c1N
InChIInChI=1S/C17H25N7O/c1-3-25-14-7-5-4-6-13(14)21-16-15(18)17(20-12-19-16)22-24-10-8-23(2)9-11-24/h4-7,12H,3,8-11,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyRDQNTUYABGYIID-UHFFFAOYSA-N
XLogP1.78
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-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

4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19144015
6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144039
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19143129
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
ethyl 4-[[5-amino-6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144025
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
4-N-(2-ethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139028
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145913
4-N-(2-ethoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154246
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (CID 19144132) is 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is CCOc1ccccc1Nc1ncnc(NN2CCN(C)CC2)c1N.
What is the InChIKey of 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The InChIKey is RDQNTUYABGYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-3-25-14-7-5-4-6-13(14)21-16-15(18)17(20-12-19-16)22-24-10-8-23(2)9-11-24/h4-7,12H,3,8-11,18H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine has a molecular weight of 343.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).