7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline

C15H24N2 — CID 139483250

IUPAC7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)C1c2ncncc2CCC1C(C)(C)C
InChIInChI=1S/C15H24N2/c1-10(2)13-12(15(3,4)5)7-6-11-8-16-9-17-14(11)13/h8-10,12-13H,6-7H2,1-5H3
InChIKeyBYQLUJBCTLSXGX-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.82
Rot. Bonds1

About 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline

7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 139483250) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID139483250
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)C1c2ncncc2CCC1C(C)(C)C
InChIInChI=1S/C15H24N2/c1-10(2)13-12(15(3,4)5)7-6-11-8-16-9-17-14(11)13/h8-10,12-13H,6-7H2,1-5H3
InChIKeyBYQLUJBCTLSXGX-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline (CID 139483250) is 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline is CC(C)C1c2ncncc2CCC1C(C)(C)C.
What is the InChIKey of 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is BYQLUJBCTLSXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10(2)13-12(15(3,4)5)7-6-11-8-16-9-17-14(11)13/h8-10,12-13H,6-7H2,1-5H3.
What are the key properties of 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 232.37 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 139483250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).