5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one

C7H10F2N4O2 — CID 136849682

IUPAC5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NCC(F)(F)CO)nc[nH]c1=O
InChIInChI=1S/C7H10F2N4O2/c8-7(9,2-14)1-11-5-4(10)6(15)13-3-12-5/h3,14H,1-2,10H2,(H2,11,12,13,15)
InChIKeyHYBPMCCMOITGOB-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.61
Rot. Bonds4

About 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136849682) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
PubChem CID136849682
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC Name5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NCC(F)(F)CO)nc[nH]c1=O
InChIInChI=1S/C7H10F2N4O2/c8-7(9,2-14)1-11-5-4(10)6(15)13-3-12-5/h3,14H,1-2,10H2,(H2,11,12,13,15)
InChIKeyHYBPMCCMOITGOB-UHFFFAOYSA-N
XLogP-0.61
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737793
5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849687
4-[(2,2-difluoro-3-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849688
5-amino-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932119
5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975603
5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
CID 136979151
9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136355147
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
4,5-diamino-2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136738588

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one (CID 136849682) is 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one is Nc1c(NCC(F)(F)CO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HYBPMCCMOITGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-7(9,2-14)1-11-5-4(10)6(15)13-3-12-5/h3,14H,1-2,10H2,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 220.18 g/mol, XLogP of -0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136849682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).