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

C8H13N3O3 — CID 102443241

IUPAC4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
SMILESNc1ccn(C[C@@H](O)CCO)c(=O)n1
InChIInChI=1S/C8H13N3O3/c9-7-1-3-11(8(14)10-7)5-6(13)2-4-12/h1,3,6,12-13H,2,4-5H2,(H2,9,10,14)/t6-/m0/s1
InChIKeyGMSIKXZSKHGTMU-LURJTMIESA-N
MW199.21 g/mol
LogP-1.43
Rot. Bonds4

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

4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one (PubChem CID 102443241) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
PubChem CID102443241
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
SMILESNc1ccn(C[C@@H](O)CCO)c(=O)n1
InChIInChI=1S/C8H13N3O3/c9-7-1-3-11(8(14)10-7)5-6(13)2-4-12/h1,3,6,12-13H,2,4-5H2,(H2,9,10,14)/t6-/m0/s1
InChIKeyGMSIKXZSKHGTMU-LURJTMIESA-N
XLogP-1.43
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
4-amino-1-[(2S)-2,4-dihydroxybutyl]-5-fluoropyrimidin-2-one
CID 40546088
4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 57318291
[[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]amino]methylphosphonic acid
CID 11565998
4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
CID 141054524
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxy-oxophosphanium
CID 90431923
1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one
CID 25147405
4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one
CID 15659063
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;sulfane
CID 157233007

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one (CID 102443241) is 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one is Nc1ccn(C[C@@H](O)CCO)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one?
The InChIKey is GMSIKXZSKHGTMU-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O3/c9-7-1-3-11(8(14)10-7)5-6(13)2-4-12/h1,3,6,12-13H,2,4-5H2,(H2,9,10,14)/t6-/m0/s1.
What are the key properties of 4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one?
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one has a molecular weight of 199.21 g/mol, XLogP of -1.43, 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]pyrimidin-2-one is sourced from PubChem (CID 102443241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).