4-amino-1-(2-aminopropyl)pyrimidin-2-one

C7H12N4O — CID 89349133

IUPAC4-amino-1-(2-aminopropyl)pyrimidin-2-one
SMILESCC(N)Cn1ccc(N)nc1=O
InChIInChI=1S/C7H12N4O/c1-5(8)4-11-3-2-6(9)10-7(11)12/h2-3,5H,4,8H2,1H3,(H2,9,10,12)
InChIKeyOCRSETDHYDSEHW-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.83
Rot. Bonds2

About 4-amino-1-(2-aminopropyl)pyrimidin-2-one

4-amino-1-(2-aminopropyl)pyrimidin-2-one (PubChem CID 89349133) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-amino-1-(2-aminopropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-aminopropyl)pyrimidin-2-one
PubChem CID89349133
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-amino-1-(2-aminopropyl)pyrimidin-2-one
SMILESCC(N)Cn1ccc(N)nc1=O
InChIInChI=1S/C7H12N4O/c1-5(8)4-11-3-2-6(9)10-7(11)12/h2-3,5H,4,8H2,1H3,(H2,9,10,12)
InChIKeyOCRSETDHYDSEHW-UHFFFAOYSA-N
XLogP-0.83
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-aminopropyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-aminopropyl)pyrimidin-2-one (CID 89349133) is 4-amino-1-(2-aminopropyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-aminopropyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-aminopropyl)pyrimidin-2-one is CC(N)Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(2-aminopropyl)pyrimidin-2-one?
The InChIKey is OCRSETDHYDSEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(8)4-11-3-2-6(9)10-7(11)12/h2-3,5H,4,8H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-(2-aminopropyl)pyrimidin-2-one?
4-amino-1-(2-aminopropyl)pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-aminopropyl)pyrimidin-2-one is sourced from PubChem (CID 89349133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).