4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one

C8H12FN3O3 — CID 40546088

IUPAC4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(C[C@@H](O)CCO)cc1F
InChIInChI=1S/C8H12FN3O3/c9-6-4-12(3-5(14)1-2-13)8(15)11-7(6)10/h4-5,13-14H,1-3H2,(H2,10,11,15)/t5-/m0/s1
InChIKeyDKIDPIBDGSQSHK-YFKPBYRVSA-N
MW217.20 g/mol
LogP-1.29
Rot. Bonds4

About 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one

4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one (PubChem CID 40546088) has the molecular formula C8H12FN3O3 and a molecular weight of 217.20 g/mol. Its IUPAC name is 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one
PubChem CID40546088
Molecular FormulaC8H12FN3O3
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Name4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(C[C@@H](O)CCO)cc1F
InChIInChI=1S/C8H12FN3O3/c9-6-4-12(3-5(14)1-2-13)8(15)11-7(6)10/h4-5,13-14H,1-3H2,(H2,10,11,15)/t5-/m0/s1
InChIKeyDKIDPIBDGSQSHK-YFKPBYRVSA-N
XLogP-1.29
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
CID 130330273
4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 58166492
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-5-fluoro-1-pentadecan-8-ylpyrimidin-2-one
CID 139519591
4-amino-1-(dimethylamino)-5-fluoropyrimidin-2-one
CID 123162599
4-amino-1-tert-butyl-5-fluoropyrimidin-2-one
CID 58226977
1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one
CID 25147405
4-amino-1-[(2R,4R)-3,3-difluoro-4-(hydroxymethyl)thietan-2-yl]-5-fluoropyrimidin-2-one
CID 11666171
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 67784653
4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 143839204
4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one
CID 167492181

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one (CID 40546088) is 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one is Nc1nc(=O)n(C[C@@H](O)CCO)cc1F.
What is the InChIKey of 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one?
The InChIKey is DKIDPIBDGSQSHK-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12FN3O3/c9-6-4-12(3-5(14)1-2-13)8(15)11-7(6)10/h4-5,13-14H,1-3H2,(H2,10,11,15)/t5-/m0/s1.
What are the key properties of 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one?
4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one has a molecular weight of 217.20 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 40546088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).