(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione

C10H18N2O4 — CID 145045789

IUPAC(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
SMILESCC[C@@H](CO)OC.Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C5H12O2/c1-7-3-2-4(8)6-5(7)9;1-3-5(4-6)7-2/h2-3H,1H3,(H,6,8,9);5-6H,3-4H2,1-2H3/t;5-/m.0/s1
InChIKeyXWBDPGGEEKRPKZ-ZSCHJXSPSA-N
MW230.26 g/mol
LogP-0.52
Rot. Bonds3

About (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione

(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione (PubChem CID 145045789) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
PubChem CID145045789
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
SMILESCC[C@@H](CO)OC.Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C5H12O2/c1-7-3-2-4(8)6-5(7)9;1-3-5(4-6)7-2/h2-3H,1H3,(H,6,8,9);5-6H,3-4H2,1-2H3/t;5-/m.0/s1
InChIKeyXWBDPGGEEKRPKZ-ZSCHJXSPSA-N
XLogP-0.52
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione 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

ethylphosphane;1-methylpyrimidine-2,4-dione
CID 175119511
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
[2-(2,4-dioxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 160757175
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methoxyacetate
CID 172580838
1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione
CID 70640618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione?
The IUPAC name of (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione (CID 145045789) is (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione.
What is the SMILES notation for (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione?
The canonical SMILES for (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione is CC[C@@H](CO)OC.Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione?
The InChIKey is XWBDPGGEEKRPKZ-ZSCHJXSPSA-N. The full InChI is InChI=1S/C5H6N2O2.C5H12O2/c1-7-3-2-4(8)6-5(7)9;1-3-5(4-6)7-2/h2-3H,1H3,(H,6,8,9);5-6H,3-4H2,1-2H3/t;5-/m.0/s1.
What are the key properties of (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione?
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione has a molecular weight of 230.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 145045789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).