2-(methylamino)-4-propyl-1H-pyrimidin-6-one

C8H13N3O — CID 135973622

IUPAC2-(methylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NC)n1
InChIInChI=1S/C8H13N3O/c1-3-4-6-5-7(12)11-8(9-2)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyLDANGWCWPWVDQJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.76
Rot. Bonds3

About 2-(methylamino)-4-propyl-1H-pyrimidin-6-one

2-(methylamino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135973622) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(methylamino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135973622
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(methylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NC)n1
InChIInChI=1S/C8H13N3O/c1-3-4-6-5-7(12)11-8(9-2)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyLDANGWCWPWVDQJ-UHFFFAOYSA-N
XLogP0.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-4-propyl-1H-pyrimidin-6-one (CID 135973622) is 2-(methylamino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(NC)n1.
What is the InChIKey of 2-(methylamino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is LDANGWCWPWVDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-6-5-7(12)11-8(9-2)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-(methylamino)-4-propyl-1H-pyrimidin-6-one?
2-(methylamino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).