5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine

C8H13N4+ — CID 51397814

IUPAC5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine
SMILESNc1nc2c(c(N)[nH+]1)CCCC2
InChIInChI=1S/C8H12N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2,(H4,9,10,11,12)/p+1
InChIKeyILYYGQJVLQUTAM-UHFFFAOYSA-O
MW165.22 g/mol
LogP-0.06
Rot. Bonds

About 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine

5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine (PubChem CID 51397814) has the molecular formula C8H13N4+ and a molecular weight of 165.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine
PubChem CID51397814
Molecular FormulaC8H13N4+
Molecular Weight165.22 g/mol
Exact Mass165.11
IUPAC Name5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine
SMILESNc1nc2c(c(N)[nH+]1)CCCC2
InChIInChI=1S/C8H12N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2,(H4,9,10,11,12)/p+1
InChIKeyILYYGQJVLQUTAM-UHFFFAOYSA-O
XLogP-0.06
TPSA79.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
CID 141176295
9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one
CID 54430631
2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane
CID 91428696
(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea
CID 135743939
2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191560
1-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698156
2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82392376
3-amino-2-chloro-5,6,7,8-tetrahydroquinoline-4-carbonitrile
CID 82611386
1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
CID 751739
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103476164

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine?
The IUPAC name of 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine (CID 51397814) is 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine?
The canonical SMILES for 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine is Nc1nc2c(c(N)[nH+]1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine?
The InChIKey is ILYYGQJVLQUTAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2,(H4,9,10,11,12)/p+1.
What are the key properties of 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine?
5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine has a molecular weight of 165.22 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine is sourced from PubChem (CID 51397814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).