4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

C10H14F2N4O — CID 136989531

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC(F)(F)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14F2N4O/c11-10(12,4-13)5-14-7-3-8(17)16-9(15-7)6-1-2-6/h3,6H,1-2,4-5,13H2,(H2,14,15,16,17)
InChIKeyRHQQCNAOHIATDZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.65
Rot. Bonds5

About 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136989531) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136989531
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC(F)(F)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14F2N4O/c11-10(12,4-13)5-14-7-3-8(17)16-9(15-7)6-1-2-6/h3,6H,1-2,4-5,13H2,(H2,14,15,16,17)
InChIKeyRHQQCNAOHIATDZ-UHFFFAOYSA-N
XLogP0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819404
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819409
2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819414
2-cyclopropyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842341
2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849690
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136932127

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136989531) is 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is NCC(F)(F)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is RHQQCNAOHIATDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-10(12,4-13)5-14-7-3-8(17)16-9(15-7)6-1-2-6/h3,6H,1-2,4-5,13H2,(H2,14,15,16,17).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 244.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).