N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H19N3O — CID 62314537

IUPACN-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c1-14-13-10-4-2-3-5-11(10)15-12(16-13)9-6-7-17-8-9/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyNUWQXVLYXTVZJT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds2

About N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62314537) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62314537
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c1-14-13-10-4-2-3-5-11(10)15-12(16-13)9-6-7-17-8-9/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyNUWQXVLYXTVZJT-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62314537) is N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(C2CCOC2)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is NUWQXVLYXTVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-13-10-4-2-3-5-11(10)15-12(16-13)9-6-7-17-8-9/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62314537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).