4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H17N3O4 — CID 136901117

IUPAC4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CCO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O4/c1-16-5-7(3-4-14)13-9-8(17-2)10(15)12-6-11-9/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyXOLLUBZRUUJCJS-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.41
Rot. Bonds7

About 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136901117) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136901117
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CCO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O4/c1-16-5-7(3-4-14)13-9-8(17-2)10(15)12-6-11-9/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyXOLLUBZRUUJCJS-UHFFFAOYSA-N
XLogP-0.41
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(2,2-difluoro-3-hydroxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849681
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696625
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764974
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[cyclobutyl(3-hydroxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136827303
4-[cyclobutyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136827312
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847964
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136901117) is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COCC(CCO)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XOLLUBZRUUJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-16-5-7(3-4-14)13-9-8(17-2)10(15)12-6-11-9/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 243.26 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136901117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).