2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C15H21N5O — CID 22595671

IUPAC2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCCCCN)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C15H21N5O/c1-20-14(21)11-13(12-5-9-17-10-6-12)19-15(20)18-8-4-2-3-7-16/h5-6,9-11H,2-4,7-8,16H2,1H3,(H,18,19)
InChIKeyFFMVEZPXTUKPDV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.38
Rot. Bonds7

About 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 22595671) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID22595671
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCCCCN)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C15H21N5O/c1-20-14(21)11-13(12-5-9-17-10-6-12)19-15(20)18-8-4-2-3-7-16/h5-6,9-11H,2-4,7-8,16H2,1H3,(H,18,19)
InChIKeyFFMVEZPXTUKPDV-UHFFFAOYSA-N
XLogP1.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 22595671) is 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCCCCN)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is FFMVEZPXTUKPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-20-14(21)11-13(12-5-9-17-10-6-12)19-15(20)18-8-4-2-3-7-16/h5-6,9-11H,2-4,7-8,16H2,1H3,(H,18,19).
What are the key properties of 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 287.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 22595671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).