4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one

C9H14N2O3 — CID 103240871

IUPAC4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCOCCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H14N2O3/c1-7-10-8(12)6-9(11-7)14-5-3-4-13-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyWEVWCODIOWBIET-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.49
Rot. Bonds5

About 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one

4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103240871) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103240871
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCOCCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H14N2O3/c1-7-10-8(12)6-9(11-7)14-5-3-4-13-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyWEVWCODIOWBIET-UHFFFAOYSA-N
XLogP0.49
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241790
4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
CID 139637763
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240403
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
2-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240549
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241791
4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241905

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one (CID 103240871) is 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one is COCCCOc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WEVWCODIOWBIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-10-8(12)6-9(11-7)14-5-3-4-13-2/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one?
4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).