2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

C11H15F2N3O2 — CID 136932118

IUPAC2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15F2N3O2/c12-8(13)6-16(3-4-17)9-5-10(18)15-11(14-9)7-1-2-7/h5,7-8,17H,1-4,6H2,(H,14,15,18)
InChIKeyPGKFZZWLKIRYFA-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.71
Rot. Bonds6

About 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136932118) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136932118
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15F2N3O2/c12-8(13)6-16(3-4-17)9-5-10(18)15-11(14-9)7-1-2-7/h5,7-8,17H,1-4,6H2,(H,14,15,18)
InChIKeyPGKFZZWLKIRYFA-UHFFFAOYSA-N
XLogP0.71
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737803
2-cyclopropyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737806
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737807
2-cyclopropyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790773
2-ethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790775
2-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790776
2-propan-2-yl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790779
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136790786

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (CID 136932118) is 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CCO)CC(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PGKFZZWLKIRYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-8(13)6-16(3-4-17)9-5-10(18)15-11(14-9)7-1-2-7/h5,7-8,17H,1-4,6H2,(H,14,15,18).
What are the key properties of 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 259.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136932118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).