2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one

C11H18N2O2 — CID 136730172

IUPAC2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(CC(C)OC)n1
InChIInChI=1S/C11H18N2O2/c1-4-5-9-7-11(14)13-10(12-9)6-8(2)15-3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyUJQVTTSMRXQNDW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds5

About 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one

2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136730172) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136730172
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(CC(C)OC)n1
InChIInChI=1S/C11H18N2O2/c1-4-5-9-7-11(14)13-10(12-9)6-8(2)15-3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyUJQVTTSMRXQNDW-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1H-pyrimidin-6-one
CID 136842424
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842425
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1H-pyrimidin-6-one
CID 136842428
2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136842429
2-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136842475
4-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842476
4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 137012980
2-Methyl-6-propylpyrimidin-4-ol
CID 135624230
2,4-dibutyl-1H-pyrimidin-6-one
CID 135827995
2-butyl-6-ethylpyrimidin-4(3H)-one
CID 135827997
2-butyl-4-propyl-1H-pyrimidin-6-one
CID 135827999

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one (CID 136730172) is 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(CC(C)OC)n1.
What is the InChIKey of 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is UJQVTTSMRXQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-9-7-11(14)13-10(12-9)6-8(2)15-3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one?
2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).