N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine

C17H22N4O — CID 112884703

IUPACN-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCOc1ccccc1Nc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C17H22N4O/c1-2-22-15-9-5-4-8-14(15)19-16-10-11-18-17(20-16)21-12-6-3-7-13-21/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,18,19,20)
InChIKeyXOJAAFWXIXWFCK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.61
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine

N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112884703) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112884703
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCOc1ccccc1Nc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C17H22N4O/c1-2-22-15-9-5-4-8-14(15)19-16-10-11-18-17(20-16)21-12-6-3-7-13-21/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,18,19,20)
InChIKeyXOJAAFWXIXWFCK-UHFFFAOYSA-N
XLogP3.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884701
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884073
2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112901682
2-(azepan-1-yl)-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 112901677
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine (CID 112884703) is N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine is CCOc1ccccc1Nc1ccnc(N2CCCCC2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is XOJAAFWXIXWFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-22-15-9-5-4-8-14(15)19-16-10-11-18-17(20-16)21-12-6-3-7-13-21/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,18,19,20).
What are the key properties of N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).