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

C10H16N2O3 — CID 103240873

IUPAC2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCOC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-3-8-11-9(13)7-10(12-8)15-6-4-5-14-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyJZHUQMUPLGDNMT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.75
Rot. Bonds6

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

2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one (PubChem CID 103240873) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
PubChem CID103240873
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCOC)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-3-8-11-9(13)7-10(12-8)15-6-4-5-14-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyJZHUQMUPLGDNMT-UHFFFAOYSA-N
XLogP0.75
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.75
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
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-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
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-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241905
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one (CID 103240873) is 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one is CCc1nc(OCCCOC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is JZHUQMUPLGDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-8-11-9(13)7-10(12-8)15-6-4-5-14-2/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).