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

C16H19F2N3O2 — CID 155525635

IUPAC4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc(C(OC)c2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C16H19F2N3O2/c1-4-8-19-16-20-13(9(2)15(22)21-16)14(23-3)12-10(17)6-5-7-11(12)18/h5-7,14H,4,8H2,1-3H3,(H2,19,20,21,22)
InChIKeyNIPMKGRDBOSASF-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.91
Rot. Bonds6

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

4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one (PubChem CID 155525635) 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-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one
PubChem CID155525635
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc(C(OC)c2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C16H19F2N3O2/c1-4-8-19-16-20-13(9(2)15(22)21-16)14(23-3)12-10(17)6-5-7-11(12)18/h5-7,14H,4,8H2,1-3H3,(H2,19,20,21,22)
InChIKeyNIPMKGRDBOSASF-UHFFFAOYSA-N
XLogP2.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one (CID 155525635) is 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one is CCCNc1nc(C(OC)c2c(F)cccc2F)c(C)c(=O)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is NIPMKGRDBOSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-4-8-19-16-20-13(9(2)15(22)21-16)14(23-3)12-10(17)6-5-7-11(12)18/h5-7,14H,4,8H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)-methoxymethyl]-5-methyl-2-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 323.34 g/mol, XLogP of 2.91, 6 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-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 155525635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).