4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 136976423

IUPAC4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-3-8(4-5-15)6-12-10-9(17-2)11(16)14-7-13-10/h7-8,15H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyIVZUIRABGNNFCP-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.60
Rot. Bonds7

About 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976423) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976423
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-3-8(4-5-15)6-12-10-9(17-2)11(16)14-7-13-10/h7-8,15H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyIVZUIRABGNNFCP-UHFFFAOYSA-N
XLogP0.60
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746820
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746831
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136766321

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136976423) is 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCC(CCO)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IVZUIRABGNNFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-8(4-5-15)6-12-10-9(17-2)11(16)14-7-13-10/h7-8,15H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).