6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride

C12H21ClN4 — CID 44531913

IUPAC6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
SMILESCC(C)(C)C1CCc2nc(N)nc(N)c2C1.Cl
InChIInChI=1S/C12H20N4.ClH/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9;/h7H,4-6H2,1-3H3,(H4,13,14,15,16);1H
InChIKeyOKVMDICLGJQYBW-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.21
Rot. Bonds

About 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride

6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride (PubChem CID 44531913) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
PubChem CID44531913
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
SMILESCC(C)(C)C1CCc2nc(N)nc(N)c2C1.Cl
InChIInChI=1S/C12H20N4.ClH/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9;/h7H,4-6H2,1-3H3,(H4,13,14,15,16);1H
InChIKeyOKVMDICLGJQYBW-UHFFFAOYSA-N
XLogP2.21
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride (CID 44531913) is 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride is CC(C)(C)C1CCc2nc(N)nc(N)c2C1.Cl.
What is the InChIKey of 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The InChIKey is OKVMDICLGJQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.ClH/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9;/h7H,4-6H2,1-3H3,(H4,13,14,15,16);1H.
What are the key properties of 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).