2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione

C11H20N6O4 — CID 175370451

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)[nH]c1=O.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C5H6N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-7-3-2-4(8)6-5(7)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H,1H3,(H,6,8,9)
InChIKeyZRZDMDPGGHQSMT-UHFFFAOYSA-N
MW300.32 g/mol
LogP-2.47
Rot. Bonds5

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione

2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione (PubChem CID 175370451) has the molecular formula C11H20N6O4 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione
PubChem CID175370451
Molecular FormulaC11H20N6O4
Molecular Weight300.32 g/mol
Exact Mass300.15
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)[nH]c1=O.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C5H6N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-7-3-2-4(8)6-5(7)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H,1H3,(H,6,8,9)
InChIKeyZRZDMDPGGHQSMT-UHFFFAOYSA-N
XLogP-2.47
TPSA182.58 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione (CID 175370451) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione is Cn1ccc(=O)[nH]c1=O.NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione?
The InChIKey is ZRZDMDPGGHQSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C5H6N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-7-3-2-4(8)6-5(7)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H,1H3,(H,6,8,9).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione?
2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of -2.47, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 175370451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).