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

C10H13F2N3O — CID 137009956

IUPAC2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(F)F)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H13F2N3O/c1-15(5-7(11)12)8-4-9(16)14-10(13-8)6-2-3-6/h4,6-7H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyVROFNUZVPKHVMS-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.35
Rot. Bonds4

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

2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009956) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID137009956
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(F)F)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H13F2N3O/c1-15(5-7(11)12)8-4-9(16)14-10(13-8)6-2-3-6/h4,6-7H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyVROFNUZVPKHVMS-UHFFFAOYSA-N
XLogP1.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane
CID 145136644
2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one
CID 163300929
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
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
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one (CID 137009956) is 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one is CN(CC(F)F)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VROFNUZVPKHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-15(5-7(11)12)8-4-9(16)14-10(13-8)6-2-3-6/h4,6-7H,2-3,5H2,1H3,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 229.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).