6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione

C8H14N4O2 — CID 20668498

IUPAC6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CNCCN)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-5-6(4-10-3-2-9)11-8(14)12-7(5)13/h10H,2-4,9H2,1H3,(H2,11,12,13,14)
InChIKeyWARCHVVLSVLSTJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.58
Rot. Bonds4

About 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione

6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 20668498) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID20668498
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CNCCN)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-5-6(4-10-3-2-9)11-8(14)12-7(5)13/h10H,2-4,9H2,1H3,(H2,11,12,13,14)
InChIKeyWARCHVVLSVLSTJ-UHFFFAOYSA-N
XLogP-1.58
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 20668498) is 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CNCCN)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is WARCHVVLSVLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5-6(4-10-3-2-9)11-8(14)12-7(5)13/h10H,2-4,9H2,1H3,(H2,11,12,13,14).
What are the key properties of 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20668498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).