4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one

C16H17F2N3O3 — CID 4131756

IUPAC4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2F)NC(=O)N1
InChIInChI=1S/C16H17F2N3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,14H,5-8H2,1H3,(H2,19,20,23)
InChIKeyKOBIYMRPERWQMP-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.45
Rot. Bonds2

About 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one

4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 4131756) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID4131756
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2F)NC(=O)N1
InChIInChI=1S/C16H17F2N3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,14H,5-8H2,1H3,(H2,19,20,23)
InChIKeyKOBIYMRPERWQMP-UHFFFAOYSA-N
XLogP1.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 4131756) is 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2F)NC(=O)N1.
What is the InChIKey of 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KOBIYMRPERWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,14H,5-8H2,1H3,(H2,19,20,23).
What are the key properties of 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 337.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 4131756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).