1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

C12H19N3O2 — CID 18768328

IUPAC1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCNCCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C12H19N3O2/c1-13-7-4-8-15-10-6-3-2-5-9(10)11(16)14-12(15)17/h13H,2-8H2,1H3,(H,14,16,17)
InChIKeyWJAMMJBORAXCLQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.02
Rot. Bonds4

About 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 18768328) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID18768328
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCNCCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C12H19N3O2/c1-13-7-4-8-15-10-6-3-2-5-9(10)11(16)14-12(15)17/h13H,2-8H2,1H3,(H,14,16,17)
InChIKeyWJAMMJBORAXCLQ-UHFFFAOYSA-N
XLogP0.02
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
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 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 18768328) is 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is CNCCCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is WJAMMJBORAXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-7-4-8-15-10-6-3-2-5-9(10)11(16)14-12(15)17/h13H,2-8H2,1H3,(H,14,16,17).
What are the key properties of 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 18768328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).