2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one

C9H11F2N3O — CID 136976578

IUPAC2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C9H11F2N3O/c10-6(11)4-12-7-3-8(15)14-9(13-7)5-1-2-5/h3,5-6H,1-2,4H2,(H2,12,13,14,15)
InChIKeyKTMXDJQOFQOPIU-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.32
Rot. Bonds4

About 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 136976578) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
PubChem CID136976578
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C9H11F2N3O/c10-6(11)4-12-7-3-8(15)14-9(13-7)5-1-2-5/h3,5-6H,1-2,4H2,(H2,12,13,14,15)
InChIKeyKTMXDJQOFQOPIU-UHFFFAOYSA-N
XLogP1.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one
CID 163300929
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736696
2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736697
2-cyclopropyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737806
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
2-cyclopropyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790773
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819404

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one (CID 136976578) is 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is KTMXDJQOFQOPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-6(11)4-12-7-3-8(15)14-9(13-7)5-1-2-5/h3,5-6H,1-2,4H2,(H2,12,13,14,15).
What are the key properties of 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 215.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).