2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one

C7H11N3O2 — CID 63555001

IUPAC2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-2-4(8)7-9-5(11)3-6(12)10-7/h3-4H,2,8H2,1H3,(H2,9,10,11,12)
InChIKeyIWGXMYDRJULXCJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.11
Rot. Bonds2

About 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63555001) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63555001
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-2-4(8)7-9-5(11)3-6(12)10-7/h3-4H,2,8H2,1H3,(H2,9,10,11,12)
InChIKeyIWGXMYDRJULXCJ-UHFFFAOYSA-N
XLogP-0.11
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propylpyrimidine-4,6-diol
CID 12280642
2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
2-(1-Aminoethyl)-5-fluoropyrimidine-4,6-diol
CID 80550489
2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550665
2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550694
2-(1-amino-2-methylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550723
2-(1-amino-2,2-dimethylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550749
2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80551006
2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 67282495
2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 67282636

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 63555001) is 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one is CCC(N)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IWGXMYDRJULXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-4(8)7-9-5(11)3-6(12)10-7/h3-4H,2,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).