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

C15H23N3O — CID 80681636

IUPACN-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2(C)CCCCO2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-15(9-5-6-10-19-15)14-17-12-8-4-3-7-11(12)13(16-2)18-14/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyDLYJANIUYFKNHL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds2

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

N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 80681636) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID80681636
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2(C)CCCCO2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-15(9-5-6-10-19-15)14-17-12-8-4-3-7-11(12)13(16-2)18-14/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyDLYJANIUYFKNHL-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 80681636) is N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(C2(C)CCCCO2)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is DLYJANIUYFKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(9-5-6-10-19-15)14-17-12-8-4-3-7-11(12)13(16-2)18-14/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 80681636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).