2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine

C10H22N6O2 — CID 174863459

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine
SMILESC1=CNCNC1.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H8N2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-5-4-6-3-1/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2,5-6H,3-4H2
InChIKeyOYYZIIADRGGTEV-UHFFFAOYSA-N
MW258.33 g/mol
LogP-1.90
Rot. Bonds5

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine

2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine (PubChem CID 174863459) has the molecular formula C10H22N6O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine
PubChem CID174863459
Molecular FormulaC10H22N6O2
Molecular Weight258.33 g/mol
Exact Mass258.18
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine
SMILESC1=CNCNC1.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C4H8N2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-5-4-6-3-1/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2,5-6H,3-4H2
InChIKeyOYYZIIADRGGTEV-UHFFFAOYSA-N
XLogP-1.90
TPSA151.78 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.33
LogP ≤ 5-1.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine 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 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine (CID 174863459) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine is C1=CNCNC1.NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine?
The InChIKey is OYYZIIADRGGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C4H8N2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-5-4-6-3-1/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2,5-6H,3-4H2.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine?
2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine has a molecular weight of 258.33 g/mol, XLogP of -1.90, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 174863459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).