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

C21H32N6O — CID 19145913

IUPAC6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccccc1Nc1ncnc(NC2CC(C)(C)NC(C)(C)C2)c1N
InChIInChI=1S/C21H32N6O/c1-6-28-16-10-8-7-9-15(16)26-19-17(22)18(23-13-24-19)25-14-11-20(2,3)27-21(4,5)12-14/h7-10,13-14,27H,6,11-12,22H2,1-5H3,(H2,23,24,25,26)
InChIKeyHQNSYPFQOOOPQI-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.92
Rot. Bonds6

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

6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine (PubChem CID 19145913) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
PubChem CID19145913
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccccc1Nc1ncnc(NC2CC(C)(C)NC(C)(C)C2)c1N
InChIInChI=1S/C21H32N6O/c1-6-28-16-10-8-7-9-15(16)26-19-17(22)18(23-13-24-19)25-14-11-20(2,3)27-21(4,5)12-14/h7-10,13-14,27H,6,11-12,22H2,1-5H3,(H2,23,24,25,26)
InChIKeyHQNSYPFQOOOPQI-UHFFFAOYSA-N
XLogP3.92
TPSA97.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-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

6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145920
6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145827
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144132
1-[4-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19145832
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19145815
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525
1-[3-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547435
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
dimethyl 5-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547635

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine (CID 19145913) is 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine is CCOc1ccccc1Nc1ncnc(NC2CC(C)(C)NC(C)(C)C2)c1N.
What is the InChIKey of 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The InChIKey is HQNSYPFQOOOPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-6-28-16-10-8-7-9-15(16)26-19-17(22)18(23-13-24-19)25-14-11-20(2,3)27-21(4,5)12-14/h7-10,13-14,27H,6,11-12,22H2,1-5H3,(H2,23,24,25,26).
What are the key properties of 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine has a molecular weight of 384.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).