N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine

C20H26N4O — CID 133474028

IUPACN-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1ccc(C2CC(Nc3cc(N4CCCCC4)ncn3)CCO2)cc1
InChIInChI=1S/C20H26N4O/c1-3-7-16(8-4-1)18-13-17(9-12-25-18)23-19-14-20(22-15-21-19)24-10-5-2-6-11-24/h1,3-4,7-8,14-15,17-18H,2,5-6,9-13H2,(H,21,22,23)
InChIKeyXWXILTBOSUMXOD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.80
Rot. Bonds4

About N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine

N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133474028) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133474028
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1ccc(C2CC(Nc3cc(N4CCCCC4)ncn3)CCO2)cc1
InChIInChI=1S/C20H26N4O/c1-3-7-16(8-4-1)18-13-17(9-12-25-18)23-19-14-20(22-15-21-19)24-10-5-2-6-11-24/h1,3-4,7-8,14-15,17-18H,2,5-6,9-13H2,(H,21,22,23)
InChIKeyXWXILTBOSUMXOD-UHFFFAOYSA-N
XLogP3.80
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 129479485
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-(2-phenyloxan-4-yl)quinolin-2-amine
CID 133474130
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
CID 133474252
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine (CID 133474028) is N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine is c1ccc(C2CC(Nc3cc(N4CCCCC4)ncn3)CCO2)cc1.
What is the InChIKey of N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is XWXILTBOSUMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-7-16(8-4-1)18-13-17(9-12-25-18)23-19-14-20(22-15-21-19)24-10-5-2-6-11-24/h1,3-4,7-8,14-15,17-18H,2,5-6,9-13H2,(H,21,22,23).
What are the key properties of N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine?
N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 338.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133474028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).