2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one

C14H19N5O — CID 14397373

IUPAC2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cc2cnc(NCCCN)[nH]c2=O)cn1
InChIInChI=1S/C14H19N5O/c1-10-3-4-11(8-17-10)7-12-9-18-14(19-13(12)20)16-6-2-5-15/h3-4,8-9H,2,5-7,15H2,1H3,(H2,16,18,19,20)
InChIKeyAVTNTRSIILLJJS-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.82
Rot. Bonds6

About 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one

2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one (PubChem CID 14397373) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
PubChem CID14397373
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cc2cnc(NCCCN)[nH]c2=O)cn1
InChIInChI=1S/C14H19N5O/c1-10-3-4-11(8-17-10)7-12-9-18-14(19-13(12)20)16-6-2-5-15/h3-4,8-9H,2,5-7,15H2,1H3,(H2,16,18,19,20)
InChIKeyAVTNTRSIILLJJS-UHFFFAOYSA-N
XLogP0.82
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one (CID 14397373) is 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one is Cc1ccc(Cc2cnc(NCCCN)[nH]c2=O)cn1.
What is the InChIKey of 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is AVTNTRSIILLJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-3-4-11(8-17-10)7-12-9-18-14(19-13(12)20)16-6-2-5-15/h3-4,8-9H,2,5-7,15H2,1H3,(H2,16,18,19,20).
What are the key properties of 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one?
2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 14397373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).