6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one

C19H26F2N4O2 — CID 69353134

IUPAC6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1c(NCCN(C)C)nc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C19H26F2N4O2/c1-13(2)11-25-18(26)10-17(23-19(25)22-7-8-24(3)4)27-12-14-5-6-15(20)9-16(14)21/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,22,23)
InChIKeyHLLUBQLKNWXPLE-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.73
Rot. Bonds9

About 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one

6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one (PubChem CID 69353134) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one
PubChem CID69353134
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC Name6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1c(NCCN(C)C)nc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C19H26F2N4O2/c1-13(2)11-25-18(26)10-17(23-19(25)22-7-8-24(3)4)27-12-14-5-6-15(20)9-16(14)21/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,22,23)
InChIKeyHLLUBQLKNWXPLE-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one (CID 69353134) is 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one is CC(C)Cn1c(NCCN(C)C)nc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is HLLUBQLKNWXPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2/c1-13(2)11-25-18(26)10-17(23-19(25)22-7-8-24(3)4)27-12-14-5-6-15(20)9-16(14)21/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,22,23).
What are the key properties of 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one?
6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 380.44 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]-3-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 69353134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).