cyclopropyl-(6-methoxypyrimidin-4-yl)methanone

C9H10N2O2 — CID 91618935

IUPACcyclopropyl-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)C2CC2)ncn1
InChIInChI=1S/C9H10N2O2/c1-13-8-4-7(10-5-11-8)9(12)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyAUMNNPWTSKCMPG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.08
Rot. Bonds3

About cyclopropyl-(6-methoxypyrimidin-4-yl)methanone

cyclopropyl-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 91618935) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is cyclopropyl-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-methoxypyrimidin-4-yl)methanone
PubChem CID91618935
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namecyclopropyl-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)C2CC2)ncn1
InChIInChI=1S/C9H10N2O2/c1-13-8-4-7(10-5-11-8)9(12)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyAUMNNPWTSKCMPG-UHFFFAOYSA-N
XLogP1.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of cyclopropyl-(6-methoxypyrimidin-4-yl)methanone (CID 91618935) is cyclopropyl-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for cyclopropyl-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for cyclopropyl-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)C2CC2)ncn1.
What is the InChIKey of cyclopropyl-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is AUMNNPWTSKCMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-8-4-7(10-5-11-8)9(12)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of cyclopropyl-(6-methoxypyrimidin-4-yl)methanone?
cyclopropyl-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 178.19 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 91618935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).