4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one

C10H15F2N3O4 — CID 121429318

IUPAC4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one
SMILESNc1ccn([C@H](O)C[C@H](O)[C@H](CO)C(F)F)c(=O)n1
InChIInChI=1S/C10H15F2N3O4/c11-9(12)5(4-16)6(17)3-8(18)15-2-1-7(13)14-10(15)19/h1-2,5-6,8-9,16-18H,3-4H2,(H2,13,14,19)/t5-,6-,8+/m0/s1
InChIKeyYRQDCRNEJGSNDI-VMHSAVOQSA-N
MW279.24 g/mol
LogP-1.06
Rot. Bonds6

About 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one

4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one (PubChem CID 121429318) has the molecular formula C10H15F2N3O4 and a molecular weight of 279.24 g/mol. Its IUPAC name is 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one
PubChem CID121429318
Molecular FormulaC10H15F2N3O4
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC Name4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one
SMILESNc1ccn([C@H](O)C[C@H](O)[C@H](CO)C(F)F)c(=O)n1
InChIInChI=1S/C10H15F2N3O4/c11-9(12)5(4-16)6(17)3-8(18)15-2-1-7(13)14-10(15)19/h1-2,5-6,8-9,16-18H,3-4H2,(H2,13,14,19)/t5-,6-,8+/m0/s1
InChIKeyYRQDCRNEJGSNDI-VMHSAVOQSA-N
XLogP-1.06
TPSA121.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-(3,4-dihydroxy-1,1,1-triphenylbutan-2-yl)pyrimidin-2-one
CID 175601508
4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one
CID 129194259
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
CID 129301961
[(2S,3R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-1,3-dihydroxy-2-methoxybutan-2-yl] hypofluorite
CID 134366143
CID 144985274
CID 144985274
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
4-amino-1-[(1R,2R,3R)-1-fluoro-2-hydroxy-3-(hydroxymethyl)-3-methoxy-4-methylsulfanylbutyl]pyrimidin-2-one
CID 155070127
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one (CID 121429318) is 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one is Nc1ccn([C@H](O)C[C@H](O)[C@H](CO)C(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one?
The InChIKey is YRQDCRNEJGSNDI-VMHSAVOQSA-N. The full InChI is InChI=1S/C10H15F2N3O4/c11-9(12)5(4-16)6(17)3-8(18)15-2-1-7(13)14-10(15)19/h1-2,5-6,8-9,16-18H,3-4H2,(H2,13,14,19)/t5-,6-,8+/m0/s1.
What are the key properties of 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one?
4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one has a molecular weight of 279.24 g/mol, XLogP of -1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R,3S,4S)-5,5-difluoro-1,3-dihydroxy-4-(hydroxymethyl)pentyl]pyrimidin-2-one is sourced from PubChem (CID 121429318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).