2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine

C23H26N4O — CID 112900973

IUPAC2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-2-18-10-8-9-17-27(18)23-24-16-15-22(26-23)25-20-13-6-7-14-21(20)28-19-11-4-3-5-12-19/h3-7,11-16,18H,2,8-10,17H2,1H3,(H,24,25,26)
InChIKeyOJRPKPXDOZXOAC-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.78
Rot. Bonds6

About 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine

2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine (PubChem CID 112900973) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
PubChem CID112900973
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-2-18-10-8-9-17-27(18)23-24-16-15-22(26-23)25-20-13-6-7-14-21(20)28-19-11-4-3-5-12-19/h3-7,11-16,18H,2,8-10,17H2,1H3,(H,24,25,26)
InChIKeyOJRPKPXDOZXOAC-UHFFFAOYSA-N
XLogP5.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112900963
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883783
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134796519
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine (CID 112900973) is 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine is CCC1CCCCN1c1nccc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
The InChIKey is OJRPKPXDOZXOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-18-10-8-9-17-27(18)23-24-16-15-22(26-23)25-20-13-6-7-14-21(20)28-19-11-4-3-5-12-19/h3-7,11-16,18H,2,8-10,17H2,1H3,(H,24,25,26).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 5.78, 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)-N-(2-phenoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112900973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).