[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C14H21N3O — CID 81425186

IUPAC[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(C2CCOC2)nc2c1CC(CN)CC2
InChIInChI=1S/C14H21N3O/c1-9-12-6-10(7-15)2-3-13(12)17-14(16-9)11-4-5-18-8-11/h10-11H,2-8,15H2,1H3
InChIKeyCYABFSGFXTYPNJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds2

About [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81425186) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81425186
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(C2CCOC2)nc2c1CC(CN)CC2
InChIInChI=1S/C14H21N3O/c1-9-12-6-10(7-15)2-3-13(12)17-14(16-9)11-4-5-18-8-11/h10-11H,2-8,15H2,1H3
InChIKeyCYABFSGFXTYPNJ-UHFFFAOYSA-N
XLogP1.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81425186) is [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nc(C2CCOC2)nc2c1CC(CN)CC2.
What is the InChIKey of [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is CYABFSGFXTYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-12-6-10(7-15)2-3-13(12)17-14(16-9)11-4-5-18-8-11/h10-11H,2-8,15H2,1H3.
What are the key properties of [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81425186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).