5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one

C9H16N4O3 — CID 136805766

IUPAC5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O3/c1-16-4-6(14)2-3-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15)
InChIKeyNHTQKOBYABZXNV-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.84
Rot. Bonds6

About 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805766) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136805766
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O3/c1-16-4-6(14)2-3-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15)
InChIKeyNHTQKOBYABZXNV-UHFFFAOYSA-N
XLogP-0.84
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

(6S)-6-[(2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
CID 136948348
N-[4-(3-hydroxypentylamino)-5-(methylideneamino)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 137084782
N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
CID 137123516
2-amino-9-(4-hydroxy-3-methoxybutyl)-7,8-dihydro-1H-purin-6-one
CID 145687323
2-(2,3-dihydroxypropylamino)-9-(4-hydroxybutyl)-1,7-dimethyl-8H-purin-6-one
CID 70492198
6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135462583
(6R)-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135815443
5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730525
5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764975
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805771
4-[(3-hydroxy-4-methoxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805772

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one (CID 136805766) is 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one is COCC(O)CCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NHTQKOBYABZXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-16-4-6(14)2-3-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of -0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).