4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one

C9H13F2N3O4 — CID 70852603

IUPAC4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one
SMILESNc1ccn(CO[C@H](CO)C(O)C(F)F)c(=O)n1
InChIInChI=1S/C9H13F2N3O4/c10-8(11)7(16)5(3-15)18-4-14-2-1-6(12)13-9(14)17/h1-2,5,7-8,15-16H,3-4H2,(H2,12,13,17)/t5-,7?/m1/s1
InChIKeyHWSFJEVZWHAPBU-FOUAAFFMSA-N
MW265.22 g/mol
LogP-1.21
Rot. Bonds6

About 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one

4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one (PubChem CID 70852603) has the molecular formula C9H13F2N3O4 and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one
PubChem CID70852603
Molecular FormulaC9H13F2N3O4
Molecular Weight265.22 g/mol
Exact Mass265.09
IUPAC Name4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one
SMILESNc1ccn(CO[C@H](CO)C(O)C(F)F)c(=O)n1
InChIInChI=1S/C9H13F2N3O4/c10-8(11)7(16)5(3-15)18-4-14-2-1-6(12)13-9(14)17/h1-2,5,7-8,15-16H,3-4H2,(H2,12,13,17)/t5-,7?/m1/s1
InChIKeyHWSFJEVZWHAPBU-FOUAAFFMSA-N
XLogP-1.21
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one (CID 70852603) is 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one is Nc1ccn(CO[C@H](CO)C(O)C(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one?
The InChIKey is HWSFJEVZWHAPBU-FOUAAFFMSA-N. The full InChI is InChI=1S/C9H13F2N3O4/c10-8(11)7(16)5(3-15)18-4-14-2-1-6(12)13-9(14)17/h1-2,5,7-8,15-16H,3-4H2,(H2,12,13,17)/t5-,7?/m1/s1.
What are the key properties of 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one?
4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one has a molecular weight of 265.22 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one is sourced from PubChem (CID 70852603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).