1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one

C8H15N3O — CID 143719964

IUPAC1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one
SMILESCCCC1CN=CN(NC)C1=O
InChIInChI=1S/C8H15N3O/c1-3-4-7-5-10-6-11(9-2)8(7)12/h6-7,9H,3-5H2,1-2H3
InChIKeyAYIVRYNAHKRYQI-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.41
Rot. Bonds3

About 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one

1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one (PubChem CID 143719964) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one
PubChem CID143719964
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one
SMILESCCCC1CN=CN(NC)C1=O
InChIInChI=1S/C8H15N3O/c1-3-4-7-5-10-6-11(9-2)8(7)12/h6-7,9H,3-5H2,1-2H3
InChIKeyAYIVRYNAHKRYQI-UHFFFAOYSA-N
XLogP0.41
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one (CID 143719964) is 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one is CCCC1CN=CN(NC)C1=O.
What is the InChIKey of 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one?
The InChIKey is AYIVRYNAHKRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-7-5-10-6-11(9-2)8(7)12/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one?
1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one has a molecular weight of 169.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-5-propyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 143719964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).