6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one

C9H13N3O2 — CID 82657252

IUPAC6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
SMILESCONCc1cnc(=O)[nH]c1C1CC1
InChIInChI=1S/C9H13N3O2/c1-14-11-5-7-4-10-9(13)12-8(7)6-2-3-6/h4,6,11H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyLGWKTULOHHTDPF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds4

About 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one

6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one (PubChem CID 82657252) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
PubChem CID82657252
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
SMILESCONCc1cnc(=O)[nH]c1C1CC1
InChIInChI=1S/C9H13N3O2/c1-14-11-5-7-4-10-9(13)12-8(7)6-2-3-6/h4,6,11H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyLGWKTULOHHTDPF-UHFFFAOYSA-N
XLogP0.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one (CID 82657252) is 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one is CONCc1cnc(=O)[nH]c1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one?
The InChIKey is LGWKTULOHHTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-11-5-7-4-10-9(13)12-8(7)6-2-3-6/h4,6,11H,2-3,5H2,1H3,(H,10,12,13).
What are the key properties of 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one?
6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 82657252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).