5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one

C9H16N4O2 — CID 136977083

IUPAC5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one
SMILESCCOC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-3-15-6(2)4-11-8-7(10)9(14)13-5-12-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyGXIOZYNOGSOFBD-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.19
Rot. Bonds5

About 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one

5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136977083) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136977083
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one
SMILESCCOC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-3-15-6(2)4-11-8-7(10)9(14)13-5-12-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyGXIOZYNOGSOFBD-UHFFFAOYSA-N
XLogP0.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998866
2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674619
5-amino-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896830
5-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 137016443
[(2R)-1-[methyl-[5-(methylideneamino)-6-oxo-1H-pyrimidin-4-yl]amino]propan-2-yl]oxymethylphosphonic acid
CID 137042991
1-[methyl-[5-(methylideneamino)-6-oxo-1H-pyrimidin-4-yl]amino]propan-2-yloxymethylphosphonic acid
CID 137057567
[(3R)-3-[(4-methyl-6-oxo-1H-pyrimidin-5-yl)amino]butan-2-yl] acetate
CID 149534158
5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586313
5-amino-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586341
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one (CID 136977083) is 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one is CCOC(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is GXIOZYNOGSOFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-15-6(2)4-11-8-7(10)9(14)13-5-12-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).