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

C18H22F2N4O2 — CID 69352391

IUPAC3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one
SMILESCN(C)CCNc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1
InChIInChI=1S/C18H22F2N4O2/c1-23(2)8-7-21-18-22-16(10-17(25)24(18)14-5-6-14)26-11-12-3-4-13(19)9-15(12)20/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyBYZREPKDHZIUJP-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.41
Rot. Bonds8

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

3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one (PubChem CID 69352391) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one
PubChem CID69352391
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one
SMILESCN(C)CCNc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1
InChIInChI=1S/C18H22F2N4O2/c1-23(2)8-7-21-18-22-16(10-17(25)24(18)14-5-6-14)26-11-12-3-4-13(19)9-15(12)20/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyBYZREPKDHZIUJP-UHFFFAOYSA-N
XLogP2.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one (CID 69352391) is 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one is CN(C)CCNc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one?
The InChIKey is BYZREPKDHZIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-23(2)8-7-21-18-22-16(10-17(25)24(18)14-5-6-14)26-11-12-3-4-13(19)9-15(12)20/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,22).
What are the key properties of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one?
3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one has a molecular weight of 364.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one is sourced from PubChem (CID 69352391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).