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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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).