4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one

C16H19F2N3O2 — CID 155531625

IUPAC4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOC(c1nc(NC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F
InChIInChI=1S/C16H19F2N3O2/c1-8(2)19-16-20-13(9(3)15(22)21-16)14(23-4)12-10(17)6-5-7-11(12)18/h5-8,14H,1-4H3,(H2,19,20,21,22)
InChIKeyMLKOOBXJTIPUKP-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.91
Rot. Bonds5

About 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 155531625) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID155531625
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCOC(c1nc(NC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F
InChIInChI=1S/C16H19F2N3O2/c1-8(2)19-16-20-13(9(3)15(22)21-16)14(23-4)12-10(17)6-5-7-11(12)18/h5-8,14H,1-4H3,(H2,19,20,21,22)
InChIKeyMLKOOBXJTIPUKP-UHFFFAOYSA-N
XLogP2.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 155531625) is 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one is COC(c1nc(NC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MLKOOBXJTIPUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-8(2)19-16-20-13(9(3)15(22)21-16)14(23-4)12-10(17)6-5-7-11(12)18/h5-8,14H,1-4H3,(H2,19,20,21,22).
What are the key properties of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 323.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 155531625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).