6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride

C13H23ClN4 — CID 44531799

IUPAC6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
SMILESCCC(C)(C)C1CCc2nc(N)nc(N)c2C1.Cl
InChIInChI=1S/C13H22N4.ClH/c1-4-13(2,3)8-5-6-10-9(7-8)11(14)17-12(15)16-10;/h8H,4-7H2,1-3H3,(H4,14,15,16,17);1H
InChIKeyGAKDCQSVGFDQEB-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.60
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride

6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride (PubChem CID 44531799) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
PubChem CID44531799
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
SMILESCCC(C)(C)C1CCc2nc(N)nc(N)c2C1.Cl
InChIInChI=1S/C13H22N4.ClH/c1-4-13(2,3)8-5-6-10-9(7-8)11(14)17-12(15)16-10;/h8H,4-7H2,1-3H3,(H4,14,15,16,17);1H
InChIKeyGAKDCQSVGFDQEB-UHFFFAOYSA-N
XLogP2.60
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride with MolForge

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Related Compounds

6,7-Dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, 1a
CID 2796981
5,6,7,8-Tetrahydroquinazoline-2,4-diamine
CID 74696
4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
2,4-Diamino-5-adamantyl-6-methylpyrimidine
CID 64287
6-Tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 484964
4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 640492
6-Methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 44264466
6-Propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
CID 44531901
6-Tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
CID 44531913
4-Cyclohexyl-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155567151
6-Ethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 484963
[6-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine
CID 6620913

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride (CID 44531799) is 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride is CCC(C)(C)C1CCc2nc(N)nc(N)c2C1.Cl.
What is the InChIKey of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The InChIKey is GAKDCQSVGFDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.ClH/c1-4-13(2,3)8-5-6-10-9(7-8)11(14)17-12(15)16-10;/h8H,4-7H2,1-3H3,(H4,14,15,16,17);1H.
What are the key properties of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride has a molecular weight of 270.81 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).