1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one

C10H13BrN2O — CID 65008573

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC2(CBr)CC2)c1
InChIInChI=1S/C10H13BrN2O/c1-8-4-12-9(14)13(5-8)7-10(6-11)2-3-10/h4-5H,2-3,6-7H2,1H3
InChIKeyUGVMDGGTYLJISC-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.73
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one

1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one (PubChem CID 65008573) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one
PubChem CID65008573
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC2(CBr)CC2)c1
InChIInChI=1S/C10H13BrN2O/c1-8-4-12-9(14)13(5-8)7-10(6-11)2-3-10/h4-5H,2-3,6-7H2,1H3
InChIKeyUGVMDGGTYLJISC-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 63206124
CID 63206124
CID 63206125
CID 63206125
CID 63206171
CID 63206171
CID 64203149
CID 64203149
CID 64995257
CID 64995257
CID 64995258
CID 64995258
CID 64995684
CID 64995684
CID 64998303
CID 64998303
CID 65007936
CID 65007936
CID 65008894
CID 65008894
CID 65010860
CID 65010860
CID 65011867
CID 65011867

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one (CID 65008573) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC2(CBr)CC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one?
The InChIKey is UGVMDGGTYLJISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-8-4-12-9(14)13(5-8)7-10(6-11)2-3-10/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one?
1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one has a molecular weight of 257.13 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 65008573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).