1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione

C12H20N2O5 — CID 173465401

IUPAC1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCC[C@H](OC(C)n1ccc(=O)[nH]c1=O)C(CO)OC
InChIInChI=1S/C12H20N2O5/c1-4-9(10(7-15)18-3)19-8(2)14-6-5-11(16)13-12(14)17/h5-6,8-10,15H,4,7H2,1-3H3,(H,13,16,17)/t8?,9-,10?/m0/s1
InChIKeyQIPQZGHEZRUTGZ-KYHHOPLUSA-N
MW272.30 g/mol
LogP-0.14
Rot. Bonds7

About 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione

1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 173465401) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID173465401
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCC[C@H](OC(C)n1ccc(=O)[nH]c1=O)C(CO)OC
InChIInChI=1S/C12H20N2O5/c1-4-9(10(7-15)18-3)19-8(2)14-6-5-11(16)13-12(14)17/h5-6,8-10,15H,4,7H2,1-3H3,(H,13,16,17)/t8?,9-,10?/m0/s1
InChIKeyQIPQZGHEZRUTGZ-KYHHOPLUSA-N
XLogP-0.14
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
1-[1-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione
CID 126692786
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
ethane;1-[1-(6-sulfanylhexan-3-yloxy)ethyl]pyrimidine-2,4-dione
CID 156889949
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 134595189
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione (CID 173465401) is 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione is CC[C@H](OC(C)n1ccc(=O)[nH]c1=O)C(CO)OC.
What is the InChIKey of 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is QIPQZGHEZRUTGZ-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-4-9(10(7-15)18-3)19-8(2)14-6-5-11(16)13-12(14)17/h5-6,8-10,15H,4,7H2,1-3H3,(H,13,16,17)/t8?,9-,10?/m0/s1.
What are the key properties of 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione?
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 173465401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).