5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one

C15H15F2N3O2 — CID 129159925

IUPAC5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one
SMILESCc1ncc(-c2ccc(=O)n(C(F)F)c2)c(OCC2CC2)n1
InChIInChI=1S/C15H15F2N3O2/c1-9-18-6-12(14(19-9)22-8-10-2-3-10)11-4-5-13(21)20(7-11)15(16)17/h4-7,10,15H,2-3,8H2,1H3
InChIKeyLTYSPGXVZFBKQK-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.80
Rot. Bonds5

About 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one

5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one (PubChem CID 129159925) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one
PubChem CID129159925
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one
SMILESCc1ncc(-c2ccc(=O)n(C(F)F)c2)c(OCC2CC2)n1
InChIInChI=1S/C15H15F2N3O2/c1-9-18-6-12(14(19-9)22-8-10-2-3-10)11-4-5-13(21)20(7-11)15(16)17/h4-7,10,15H,2-3,8H2,1H3
InChIKeyLTYSPGXVZFBKQK-UHFFFAOYSA-N
XLogP2.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one (CID 129159925) is 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one is Cc1ncc(-c2ccc(=O)n(C(F)F)c2)c(OCC2CC2)n1.
What is the InChIKey of 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one?
The InChIKey is LTYSPGXVZFBKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-9-18-6-12(14(19-9)22-8-10-2-3-10)11-4-5-13(21)20(7-11)15(16)17/h4-7,10,15H,2-3,8H2,1H3.
What are the key properties of 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one?
5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one has a molecular weight of 307.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 129159925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).