3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one

C10H16N4O4 — CID 174394569

IUPAC3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one
SMILES[H]/N=c1\c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1N
InChIInChI=1S/C10H16N4O4/c1-5-3-13(10(17)14(12)9(5)11)8-2-6(16)7(4-15)18-8/h3,6-8,11,15-16H,2,4,12H2,1H3/b11-9+/t6-,7+,8+/m0/s1
InChIKeyGDHMEQFZEAPVKZ-HVJKHXPISA-N
MW256.26 g/mol
LogP-2.21
Rot. Bonds2

About 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one

3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one (PubChem CID 174394569) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one
PubChem CID174394569
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one
SMILES[H]/N=c1\c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1N
InChIInChI=1S/C10H16N4O4/c1-5-3-13(10(17)14(12)9(5)11)8-2-6(16)7(4-15)18-8/h3,6-8,11,15-16H,2,4,12H2,1H3/b11-9+/t6-,7+,8+/m0/s1
InChIKeyGDHMEQFZEAPVKZ-HVJKHXPISA-N
XLogP-2.21
TPSA126.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
3-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57213361
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]phosphonic acid
CID 174389603
2-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-4-one
CID 11107495
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 118334097
3-(2-(18F)fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16661562
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methylimidazo[1,2-c]pyrimidin-5-one
CID 135393654
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;isothiocyanic acid
CID 172815455

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one?
The IUPAC name of 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one (CID 174394569) is 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one.
What is the SMILES notation for 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one?
The canonical SMILES for 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one is [H]/N=c1\c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1N.
What is the InChIKey of 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one?
The InChIKey is GDHMEQFZEAPVKZ-HVJKHXPISA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5-3-13(10(17)14(12)9(5)11)8-2-6(16)7(4-15)18-8/h3,6-8,11,15-16H,2,4,12H2,1H3/b11-9+/t6-,7+,8+/m0/s1.
What are the key properties of 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one?
3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one has a molecular weight of 256.26 g/mol, XLogP of -2.21, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one is sourced from PubChem (CID 174394569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).