4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C10H15N3O — CID 83847325

IUPAC4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(CN)c2C1
InChIInChI=1S/C10H15N3O/c1-6-2-3-8-7(4-6)9(5-11)13-10(14)12-8/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyGWWNBSDZLFQCPQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.35
Rot. Bonds1

About 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83847325) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83847325
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(CN)c2C1
InChIInChI=1S/C10H15N3O/c1-6-2-3-8-7(4-6)9(5-11)13-10(14)12-8/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyGWWNBSDZLFQCPQ-UHFFFAOYSA-N
XLogP0.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83847325) is 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC1CCc2[nH]c(=O)nc(CN)c2C1.
What is the InChIKey of 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is GWWNBSDZLFQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-2-3-8-7(4-6)9(5-11)13-10(14)12-8/h6H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83847325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).