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

C7H11N3O — CID 63362735

IUPAC2-(1-aminopropyl)-1H-pyrimidin-6-one
SMILESCCC(N)c1nccc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-2-5(8)7-9-4-3-6(11)10-7/h3-5H,2,8H2,1H3,(H,9,10,11)
InChIKeyBOLGRUHRRQBJOC-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.18
Rot. Bonds2

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

2-(1-aminopropyl)-1H-pyrimidin-6-one (PubChem CID 63362735) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(1-aminopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-1H-pyrimidin-6-one
PubChem CID63362735
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-(1-aminopropyl)-1H-pyrimidin-6-one
SMILESCCC(N)c1nccc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-2-5(8)7-9-4-3-6(11)10-7/h3-5H,2,8H2,1H3,(H,9,10,11)
InChIKeyBOLGRUHRRQBJOC-UHFFFAOYSA-N
XLogP0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropyl)-1H-pyrimidin-6-one (CID 63362735) is 2-(1-aminopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropyl)-1H-pyrimidin-6-one is CCC(N)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-aminopropyl)-1H-pyrimidin-6-one?
The InChIKey is BOLGRUHRRQBJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5(8)7-9-4-3-6(11)10-7/h3-5H,2,8H2,1H3,(H,9,10,11).
What are the key properties of 2-(1-aminopropyl)-1H-pyrimidin-6-one?
2-(1-aminopropyl)-1H-pyrimidin-6-one has a molecular weight of 153.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).