4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C21H30N4O — CID 112925899

IUPAC4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H30N4O/c1-5-18-8-6-7-13-25(18)20-14-16(4)22-21(24-20)23-17-9-11-19(12-10-17)26-15(2)3/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,22,23,24)
InChIKeyJLUXAQJKMRJBRJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.08
Rot. Bonds6

About 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 112925899) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID112925899
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H30N4O/c1-5-18-8-6-7-13-25(18)20-14-16(4)22-21(24-20)23-17-9-11-19(12-10-17)26-15(2)3/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,22,23,24)
InChIKeyJLUXAQJKMRJBRJ-UHFFFAOYSA-N
XLogP5.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine 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

2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 112925899) is 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is CCC1CCCCN1c1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is JLUXAQJKMRJBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-18-8-6-7-13-25(18)20-14-16(4)22-21(24-20)23-17-9-11-19(12-10-17)26-15(2)3/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,22,23,24).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 354.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112925899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).