4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one

C9H12N2O2 — CID 22943314

IUPAC4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-5(2)4-7-8(12)10-6(3)11-9(7)13/h1,4H2,2-3H3,(H2,10,11,12,13)
InChIKeyZFGOJWVNTIPSLE-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.90
Rot. Bonds2

About 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one

4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one (PubChem CID 22943314) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
PubChem CID22943314
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-5(2)4-7-8(12)10-6(3)11-9(7)13/h1,4H2,2-3H3,(H2,10,11,12,13)
InChIKeyZFGOJWVNTIPSLE-UHFFFAOYSA-N
XLogP0.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pyrimidinol, 6-amino-5-butyl-2-methyl-
CID 135854955
4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612957
4-hydroxy-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954409
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)methyl]-2-methylpyrimidine-4,6-diol
CID 805568
2-cyclopropyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 10171285
5-Allyl-2-methyl-4,6-pyrimidinediol
CID 13070836
6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
CID 25421328
5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 45058008
2-Methyl-5-prop-2-yn-1-ylpyrimidine-4,6-diol
CID 57428966

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one (CID 22943314) is 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one is C=C(C)Cc1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The InChIKey is ZFGOJWVNTIPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5(2)4-7-8(12)10-6(3)11-9(7)13/h1,4H2,2-3H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 22943314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).