4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

C10H13ClN2O2 — CID 136965156

IUPAC4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(CCl)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13ClN2O2/c1-15-9(6-2-3-6)10-12-7(5-11)4-8(14)13-10/h4,6,9H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyFHWNRGLTFQUQGX-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.61
Rot. Bonds4

About 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136965156) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136965156
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(CCl)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13ClN2O2/c1-15-9(6-2-3-6)10-12-7(5-11)4-8(14)13-10/h4,6,9H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyFHWNRGLTFQUQGX-UHFFFAOYSA-N
XLogP1.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 136965156) is 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nc(CCl)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is FHWNRGLTFQUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-9(6-2-3-6)10-12-7(5-11)4-8(14)13-10/h4,6,9H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 228.68 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136965156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).