1-(2-aminopropyl)-4-methylpyrimidin-2-one

C8H13N3O — CID 130485220

IUPAC1-(2-aminopropyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CC(C)N)c(=O)n1
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-4-3-7(2)10-8(11)12/h3-4,6H,5,9H2,1-2H3
InChIKeyCHCNWPHLOUBCAB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds2

About 1-(2-aminopropyl)-4-methylpyrimidin-2-one

1-(2-aminopropyl)-4-methylpyrimidin-2-one (PubChem CID 130485220) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-methylpyrimidin-2-one
PubChem CID130485220
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(2-aminopropyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CC(C)N)c(=O)n1
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-4-3-7(2)10-8(11)12/h3-4,6H,5,9H2,1-2H3
InChIKeyCHCNWPHLOUBCAB-UHFFFAOYSA-N
XLogP-0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(2-aminopropyl)-4-methylpyrimidin-2-one (CID 130485220) is 1-(2-aminopropyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-aminopropyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-aminopropyl)-4-methylpyrimidin-2-one is Cc1ccn(CC(C)N)c(=O)n1.
What is the InChIKey of 1-(2-aminopropyl)-4-methylpyrimidin-2-one?
The InChIKey is CHCNWPHLOUBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(9)5-11-4-3-7(2)10-8(11)12/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 1-(2-aminopropyl)-4-methylpyrimidin-2-one?
1-(2-aminopropyl)-4-methylpyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 130485220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).