5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride

C8H14Cl2N4 — CID 141176295

IUPAC5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C8H12N4.2ClH/c9-7-5-3-1-2-4-6(5)11-8(10)12-7;;/h1-4H2,(H4,9,10,11,12);2*1H
InChIKeyRURJUZSRWLGYDF-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.36
Rot. Bonds

About 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride

5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride (PubChem CID 141176295) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
PubChem CID141176295
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C8H12N4.2ClH/c9-7-5-3-1-2-4-6(5)11-8(10)12-7;;/h1-4H2,(H4,9,10,11,12);2*1H
InChIKeyRURJUZSRWLGYDF-UHFFFAOYSA-N
XLogP1.36
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191560
1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
2-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 65348931
2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 165462414
2-N,2-N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 62192419
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 105459542
N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
CID 25039003
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476583
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79616020
2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65392249

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride (CID 141176295) is 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride is Cl.Cl.Nc1nc(N)c2c(n1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride?
The InChIKey is RURJUZSRWLGYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2ClH/c9-7-5-3-1-2-4-6(5)11-8(10)12-7;;/h1-4H2,(H4,9,10,11,12);2*1H.
What are the key properties of 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride?
5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride is sourced from PubChem (CID 141176295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).