2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one

C11H16N6O — CID 136814266

IUPAC2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one
SMILESCc1nc2nc(NCCCN)[nH]c(=O)c2nc1C
InChIInChI=1S/C11H16N6O/c1-6-7(2)15-9-8(14-6)10(18)17-11(16-9)13-5-3-4-12/h3-5,12H2,1-2H3,(H2,13,15,16,17,18)
InChIKeyGGGXHZKIFNABAG-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.09
Rot. Bonds4

About 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one

2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one (PubChem CID 136814266) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one
PubChem CID136814266
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one
SMILESCc1nc2nc(NCCCN)[nH]c(=O)c2nc1C
InChIInChI=1S/C11H16N6O/c1-6-7(2)15-9-8(14-6)10(18)17-11(16-9)13-5-3-4-12/h3-5,12H2,1-2H3,(H2,13,15,16,17,18)
InChIKeyGGGXHZKIFNABAG-UHFFFAOYSA-N
XLogP0.09
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 155816850
2-(propylamino)-3H-pteridin-4-one
CID 141118544
2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136925171
N'-(4,5,6,7-tetrabromo-1H-benzimidazol-2-yl)propane-1,3-diamine
CID 52934641
N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
2-(3-aminopropylamino)-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
CID 14397373
9-methyl-2-(propylamino)-1H-purin-6-one
CID 170237995
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione
CID 117212570
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine
CID 115019982
N-(3-aminopropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137052613

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one?
The IUPAC name of 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one (CID 136814266) is 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one.
What is the SMILES notation for 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one?
The canonical SMILES for 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one is Cc1nc2nc(NCCCN)[nH]c(=O)c2nc1C.
What is the InChIKey of 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one?
The InChIKey is GGGXHZKIFNABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-7(2)15-9-8(14-6)10(18)17-11(16-9)13-5-3-4-12/h3-5,12H2,1-2H3,(H2,13,15,16,17,18).
What are the key properties of 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one?
2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one has a molecular weight of 248.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one is sourced from PubChem (CID 136814266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).