4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one

C9H15N3O3 — CID 90410803

IUPAC4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
SMILESC[C@@H](O)[C@@H](CO)Cn1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O3/c1-6(14)7(5-13)4-12-3-2-8(10)11-9(12)15/h2-3,6-7,13-14H,4-5H2,1H3,(H2,10,11,15)/t6-,7-/m1/s1
InChIKeyJPRWQRSPZPTJBM-RNFRBKRXSA-N
MW213.24 g/mol
LogP-1.19
Rot. Bonds4

About 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one

4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one (PubChem CID 90410803) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
PubChem CID90410803
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
SMILESC[C@@H](O)[C@@H](CO)Cn1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O3/c1-6(14)7(5-13)4-12-3-2-8(10)11-9(12)15/h2-3,6-7,13-14H,4-5H2,1H3,(H2,10,11,15)/t6-,7-/m1/s1
InChIKeyJPRWQRSPZPTJBM-RNFRBKRXSA-N
XLogP-1.19
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
N-[1-[(2S,3R)-3-hydroxy-2-(hydroxymethyl)butyl]-2-oxopyrimidin-4-yl]acetamide
CID 90410776
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
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-[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
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;sulfane
CID 157233007
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;phosphoric acid
CID 174487238
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one (CID 90410803) is 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one is C[C@@H](O)[C@@H](CO)Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one?
The InChIKey is JPRWQRSPZPTJBM-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(14)7(5-13)4-12-3-2-8(10)11-9(12)15/h2-3,6-7,13-14H,4-5H2,1H3,(H2,10,11,15)/t6-,7-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one?
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one has a molecular weight of 213.24 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one is sourced from PubChem (CID 90410803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).