2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C24H28N4O2 — CID 137251087

IUPAC2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3cccc(OC4CCCCC4)c3)nc2)n1
InChIInChI=1S/C24H28N4O2/c1-2-19-14-23(29)28-24(27-19)18-11-12-22(26-16-18)25-15-17-7-6-10-21(13-17)30-20-8-4-3-5-9-20/h6-7,10-14,16,20H,2-5,8-9,15H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyXDWGJPTVBBJPJF-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.72
Rot. Bonds7

About 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137251087) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137251087
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3cccc(OC4CCCCC4)c3)nc2)n1
InChIInChI=1S/C24H28N4O2/c1-2-19-14-23(29)28-24(27-19)18-11-12-22(26-16-18)25-15-17-7-6-10-21(13-17)30-20-8-4-3-5-9-20/h6-7,10-14,16,20H,2-5,8-9,15H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyXDWGJPTVBBJPJF-UHFFFAOYSA-N
XLogP4.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186
4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268740
2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137265053
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
2-[6-[3-(3-bromophenyl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268367
4-ethyl-2-[6-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137263216
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137251087) is 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NCc3cccc(OC4CCCCC4)c3)nc2)n1.
What is the InChIKey of 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is XDWGJPTVBBJPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-19-14-23(29)28-24(27-19)18-11-12-22(26-16-18)25-15-17-7-6-10-21(13-17)30-20-8-4-3-5-9-20/h6-7,10-14,16,20H,2-5,8-9,15H2,1H3,(H,25,26)(H,27,28,29).
What are the key properties of 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 404.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137251087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).