[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

C14H12F2N4O2 — CID 138026852

IUPAC[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C14H12F2N4O2/c1-8-2-3-11-13(19-8)22-5-4-20(11)14(21)10-6-9(12(15)16)17-7-18-10/h2-3,6-7,12H,4-5H2,1H3
InChIKeyRCSREXPASKOWFS-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.16
Rot. Bonds2

About [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (PubChem CID 138026852) has the molecular formula C14H12F2N4O2 and a molecular weight of 306.27 g/mol. Its IUPAC name is [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
PubChem CID138026852
Molecular FormulaC14H12F2N4O2
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C14H12F2N4O2/c1-8-2-3-11-13(19-8)22-5-4-20(11)14(21)10-6-9(12(15)16)17-7-18-10/h2-3,6-7,12H,4-5H2,1H3
InChIKeyRCSREXPASKOWFS-UHFFFAOYSA-N
XLogP2.16
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The IUPAC name of [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (CID 138026852) is [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.
What is the SMILES notation for [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The canonical SMILES for [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is Cc1ccc2c(n1)OCCN2C(=O)c1cc(C(F)F)ncn1.
What is the InChIKey of [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The InChIKey is RCSREXPASKOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2/c1-8-2-3-11-13(19-8)22-5-4-20(11)14(21)10-6-9(12(15)16)17-7-18-10/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone has a molecular weight of 306.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is sourced from PubChem (CID 138026852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).