1-(1-aminopropan-2-yl)pyrimidin-2-one

C7H11N3O — CID 82168020

IUPAC1-(1-aminopropan-2-yl)pyrimidin-2-one
SMILESCC(CN)n1cccnc1=O
InChIInChI=1S/C7H11N3O/c1-6(5-8)10-4-2-3-9-7(10)11/h2-4,6H,5,8H2,1H3
InChIKeyOYJVADDHKHUUPR-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.24
Rot. Bonds2

About 1-(1-aminopropan-2-yl)pyrimidin-2-one

1-(1-aminopropan-2-yl)pyrimidin-2-one (PubChem CID 82168020) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)pyrimidin-2-one
PubChem CID82168020
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(1-aminopropan-2-yl)pyrimidin-2-one
SMILESCC(CN)n1cccnc1=O
InChIInChI=1S/C7H11N3O/c1-6(5-8)10-4-2-3-9-7(10)11/h2-4,6H,5,8H2,1H3
InChIKeyOYJVADDHKHUUPR-UHFFFAOYSA-N
XLogP-0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)pyrimidin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)pyrimidin-2-one (CID 82168020) is 1-(1-aminopropan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)pyrimidin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)pyrimidin-2-one is CC(CN)n1cccnc1=O.
What is the InChIKey of 1-(1-aminopropan-2-yl)pyrimidin-2-one?
The InChIKey is OYJVADDHKHUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(5-8)10-4-2-3-9-7(10)11/h2-4,6H,5,8H2,1H3.
What are the key properties of 1-(1-aminopropan-2-yl)pyrimidin-2-one?
1-(1-aminopropan-2-yl)pyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 82168020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).