6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid

C15H25N7O3 — CID 155084733

IUPAC6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid
SMILESCC1NC(=O)N(CCNC(CCCCN)C(=O)O)c2ncnc(N)c21
InChIInChI=1S/C15H25N7O3/c1-9-11-12(17)19-8-20-13(11)22(15(25)21-9)7-6-18-10(14(23)24)4-2-3-5-16/h8-10,18H,2-7,16H2,1H3,(H,21,25)(H,23,24)(H2,17,19,20)
InChIKeyWMDXAADTJJTWPX-UHFFFAOYSA-N
MW351.41 g/mol
LogP-0.18
Rot. Bonds9

About 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid

6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid (PubChem CID 155084733) has the molecular formula C15H25N7O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid
PubChem CID155084733
Molecular FormulaC15H25N7O3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Name6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid
SMILESCC1NC(=O)N(CCNC(CCCCN)C(=O)O)c2ncnc(N)c21
InChIInChI=1S/C15H25N7O3/c1-9-11-12(17)19-8-20-13(11)22(15(25)21-9)7-6-18-10(14(23)24)4-2-3-5-16/h8-10,18H,2-7,16H2,1H3,(H,21,25)(H,23,24)(H2,17,19,20)
InChIKeyWMDXAADTJJTWPX-UHFFFAOYSA-N
XLogP-0.18
TPSA159.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid?
The IUPAC name of 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid (CID 155084733) is 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid is CC1NC(=O)N(CCNC(CCCCN)C(=O)O)c2ncnc(N)c21.
What is the InChIKey of 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid?
The InChIKey is WMDXAADTJJTWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O3/c1-9-11-12(17)19-8-20-13(11)22(15(25)21-9)7-6-18-10(14(23)24)4-2-3-5-16/h8-10,18H,2-7,16H2,1H3,(H,21,25)(H,23,24)(H2,17,19,20).
What are the key properties of 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid?
6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid has a molecular weight of 351.41 g/mol, XLogP of -0.18, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(5-amino-4-methyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)ethylamino]hexanoic acid is sourced from PubChem (CID 155084733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).