2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one

C15H18N2O2 — CID 79437123

IUPAC2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCCC(C)c1nc(O)c(-c2ccc(C)cc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-4-10(3)13-16-14(18)12(15(19)17-13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyMPWVSKDHKFVMAM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.96
Rot. Bonds3

About 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one

2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79437123) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79437123
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCCC(C)c1nc(O)c(-c2ccc(C)cc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-4-10(3)13-16-14(18)12(15(19)17-13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyMPWVSKDHKFVMAM-UHFFFAOYSA-N
XLogP2.96
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 127044151
2,6-Dimethyl-5-phenyl-3H-pyrimidin-4-one
CID 135407240
6-Methyl-5-phenyl-2-((E)-styryl)-3H-pyrimidin-4-one
CID 135517050
2,5-Diphenyl-4,6-pyrimidinediol
CID 824766
2-Ethyl-6-methyl-5-phenylpyrimidin-4(3H)-one
CID 135415475
4-hydroxy-2-isobutyl-5-phenyl-1H-pyrimidin-6-one
CID 65428960
5-(2,5-Dimethylbenzyl)-2,6-dimethyl-4-pyrimidinol
CID 135401373
5-Benzyl-2,6-dimethylpyrimidin-4-ol
CID 135447905
2-Benzylpyrimidine-4,6-diol
CID 23042617
5,5'-[(4-Fluorophenyl)methylene]bis[6-amino2-methylpyrimidin-4(3h)-one]
CID 145864462
pyrimidin-4(1H)-one, 2,3-dihydro-6-hydroxy-5-phenyl-2-selenoxo-
CID 171384669
5-Benzyl-6-hydroxy-2-methyl-3,4-dihydro-4-pyrimidon
CID 25420561

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one (CID 79437123) is 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one is CCC(C)c1nc(O)c(-c2ccc(C)cc2)c(=O)[nH]1.
What is the InChIKey of 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is MPWVSKDHKFVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-10(3)13-16-14(18)12(15(19)17-13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79437123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).