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

C21H30N4O — CID 112925995

IUPAC2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H30N4O/c1-5-18-8-6-7-13-25(18)21-22-16(4)14-20(24-21)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)
InChIKeyBOGIPMWBYXCGOP-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.08
Rot. Bonds6

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

2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 112925995) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID112925995
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H30N4O/c1-5-18-8-6-7-13-25(18)21-22-16(4)14-20(24-21)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)
InChIKeyBOGIPMWBYXCGOP-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 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-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

N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-(2,4-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925963
N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925981
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112922997
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 112925995) is 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CCC1CCCCN1c1nc(C)cc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is BOGIPMWBYXCGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-18-8-6-7-13-25(18)21-22-16(4)14-20(24-21)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 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-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 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112925995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).