2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one

C14H17N3O2 — CID 136973939

IUPAC2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(O)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2/c1-2-12-16-13(8-14(19)17-12)15-9-11(18)10-6-4-3-5-7-10/h3-8,11,18H,2,9H2,1H3,(H2,15,16,17,19)
InChIKeyVRPPIROXNJIMIT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.48
Rot. Bonds5

About 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973939) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136973939
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(O)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2/c1-2-12-16-13(8-14(19)17-12)15-9-11(18)10-6-4-3-5-7-10/h3-8,11,18H,2,9H2,1H3,(H2,15,16,17,19)
InChIKeyVRPPIROXNJIMIT-UHFFFAOYSA-N
XLogP1.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-4-[4-(4-Fluorophenyl)-5-hydroxy-5,6-dihydropyridin-1(2H)-yl]-6-methyl-1,3,5-triazin-2(1H)-one
CID 136933045
4-[4-(4-fluorophenyl)-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-1H-1,3,5-triazin-2-one
CID 137001496
5-ethanimidoyl-4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 145199250
Phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol
CID 11084652
2-[[2-(3-Fluorophenyl)-2-hydroxyethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 75405523
3-[2-(2,3-Difluorophenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 108252452
3-[2-(2-Fluorophenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 108252453
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109963603
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110888730
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110891745
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111565786
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111566239

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one (CID 136973939) is 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one is CCc1nc(NCC(O)c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VRPPIROXNJIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-12-16-13(8-14(19)17-12)15-9-11(18)10-6-4-3-5-7-10/h3-8,11,18H,2,9H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).