2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione

C10H18N4O4 — CID 21252811

IUPAC2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione
SMILESNCCCCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H14N2O2.C4H4N2O2/c7-4-2-1-3-5(8)6(9)10;7-3-1-2-5-4(8)6-3/h5H,1-4,7-8H2,(H,9,10);1-2H,(H2,5,6,7,8)
InChIKeyBVUMZXXIZFCPAU-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.41
Rot. Bonds5

About 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione

2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione (PubChem CID 21252811) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione
PubChem CID21252811
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione
SMILESNCCCCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H14N2O2.C4H4N2O2/c7-4-2-1-3-5(8)6(9)10;7-3-1-2-5-4(8)6-3/h5H,1-4,7-8H2,(H,9,10);1-2H,(H2,5,6,7,8)
InChIKeyBVUMZXXIZFCPAU-UHFFFAOYSA-N
XLogP-1.41
TPSA155.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
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 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione (CID 21252811) is 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione is NCCCCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione?
The InChIKey is BVUMZXXIZFCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H4N2O2/c7-4-2-1-3-5(8)6(9)10;7-3-1-2-5-4(8)6-3/h5H,1-4,7-8H2,(H,9,10);1-2H,(H2,5,6,7,8).
What are the key properties of 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione?
2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of -1.41, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21252811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).