5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one

C11H18N2O2 — CID 150994228

IUPAC5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(COC)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-9-8(2)12-10(7-15-3)13-11(9)14/h4-7H2,1-3H3,(H,12,13,14)
InChIKeyLSTCBRBAVVXKSY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.57
Rot. Bonds5

About 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one

5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 150994228) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID150994228
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(COC)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-9-8(2)12-10(7-15-3)13-11(9)14/h4-7H2,1-3H3,(H,12,13,14)
InChIKeyLSTCBRBAVVXKSY-UHFFFAOYSA-N
XLogP1.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
5-Hexyl-2,6-dimethylpyrimidin-4(3h)-one
CID 137306458
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136890413
2-(2,2,2-Trifluoroethoxymethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136890414
2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136890415
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136890416
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136890420
2-(2,2,2-Trifluoroethoxymethyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136890421
2-Methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 135633080
2-butyl-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 135828003
2,4-dimethyl-5-propyl-1H-pyrimidin-6-one
CID 135947870
Ethyl 4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-carboxylate
CID 136014459

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one (CID 150994228) is 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(COC)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LSTCBRBAVVXKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-6-9-8(2)12-10(7-15-3)13-11(9)14/h4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 150994228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).