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

C12H18N2 — CID 18736797

IUPAC2-tert-butyl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)(C)c1ncc2c(n1)CCCC2
InChIInChI=1S/C12H18N2/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11/h8H,4-7H2,1-3H3
InChIKeyPKFGMRQVRNXGRB-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.65
Rot. Bonds

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

2-tert-butyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 18736797) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-tert-butyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-tert-butyl-5,6,7,8-tetrahydroquinazoline
PubChem CID18736797
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-tert-butyl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)(C)c1ncc2c(n1)CCCC2
InChIInChI=1S/C12H18N2/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11/h8H,4-7H2,1-3H3
InChIKeyPKFGMRQVRNXGRB-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydroquinazoline (CID 18736797) is 2-tert-butyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-tert-butyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-tert-butyl-5,6,7,8-tetrahydroquinazoline is CC(C)(C)c1ncc2c(n1)CCCC2.
What is the InChIKey of 2-tert-butyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PKFGMRQVRNXGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6,7,8-tetrahydroquinazoline?
2-tert-butyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 190.29 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 18736797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).