1H-quinazolin-2-amine

C8H7N3 — CID 176543086

IUPAC1H-quinazolin-2-amine
SMILESNC1=NC=C2C=C=CC=C2N1
InChIInChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h2-5H,(H3,9,10,11)
InChIKeyQUZBCPPPGNJQAR-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.40
Rot. Bonds

About 1H-quinazolin-2-amine

1H-quinazolin-2-amine (PubChem CID 176543086) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1H-quinazolin-2-amine.

Molecular Properties

Compound Name1H-quinazolin-2-amine
PubChem CID176543086
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name1H-quinazolin-2-amine
SMILESNC1=NC=C2C=C=CC=C2N1
InChIInChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h2-5H,(H3,9,10,11)
InChIKeyQUZBCPPPGNJQAR-UHFFFAOYSA-N
XLogP0.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-N,7-dimethyl-1H-quinazoline-2,7-diamine
CID 70100778
1H-cyclopenta[h]quinazolin-2-amine
CID 87106294
3,5-Diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-4-amine
CID 87347317
1H-cyclohepta[d]pyrimidin-2-amine
CID 87501230
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
1,7-Dihydroquinazoline
CID 142336195
1,7-Dihydroquinazoline;ethane
CID 142336209
3,5-Diazatricyclo[11.4.0.02,7]heptadeca-1,4,6,8,10,12,14,16-octaen-4-amine
CID 145678989
1H-Cyclopropa[G]quinazoline
CID 45080057
4-methyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157916907

Frequently Asked Questions

What is the IUPAC name of 1H-quinazolin-2-amine?
The IUPAC name of 1H-quinazolin-2-amine (CID 176543086) is 1H-quinazolin-2-amine.
What is the SMILES notation for 1H-quinazolin-2-amine?
The canonical SMILES for 1H-quinazolin-2-amine is NC1=NC=C2C=C=CC=C2N1.
What is the InChIKey of 1H-quinazolin-2-amine?
The InChIKey is QUZBCPPPGNJQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h2-5H,(H3,9,10,11).
What are the key properties of 1H-quinazolin-2-amine?
1H-quinazolin-2-amine has a molecular weight of 145.16 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinazolin-2-amine is sourced from PubChem (CID 176543086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).