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

C7H10F2N4O — CID 136979145

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
SMILESNCC(F)(F)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10F2N4O/c8-7(9,2-10)3-11-5-1-6(14)13-4-12-5/h1,4H,2-3,10H2,(H2,11,12,13,14)
InChIKeyPBKCZVRLOVXJJO-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.22
Rot. Bonds4

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

4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979145) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
PubChem CID136979145
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
SMILESNCC(F)(F)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10F2N4O/c8-7(9,2-10)3-11-5-1-6(14)13-4-12-5/h1,4H,2-3,10H2,(H2,11,12,13,14)
InChIKeyPBKCZVRLOVXJJO-UHFFFAOYSA-N
XLogP-0.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819412
4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955984
4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956610
4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957014
4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957051
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957548

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one (CID 136979145) is 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one is NCC(F)(F)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PBKCZVRLOVXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-7(9,2-10)3-11-5-1-6(14)13-4-12-5/h1,4H,2-3,10H2,(H2,11,12,13,14).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 204.18 g/mol, XLogP of -0.22, 4 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).