7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine

C12H16N4 — CID 70416977

IUPAC7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine
SMILESCN1C=CCC2=C3NC(N)=NC=C3CCC21
InChIInChI=1S/C12H16N4/c1-16-6-2-3-9-10(16)5-4-8-7-14-12(13)15-11(8)9/h2,6-7,10H,3-5H2,1H3,(H3,13,14,15)
InChIKeyUBGVDJTXDWWCGM-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.05
Rot. Bonds

About 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine

7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine (PubChem CID 70416977) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine.

Molecular Properties

Compound Name7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine
PubChem CID70416977
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine
SMILESCN1C=CCC2=C3NC(N)=NC=C3CCC21
InChIInChI=1S/C12H16N4/c1-16-6-2-3-9-10(16)5-4-8-7-14-12(13)15-11(8)9/h2,6-7,10H,3-5H2,1H3,(H3,13,14,15)
InChIKeyUBGVDJTXDWWCGM-UHFFFAOYSA-N
XLogP1.05
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3a,7,8,9-tetrahydro-1H-perimidin-2-amine
CID 163884016
N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine
CID 170182821
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
CID 173403073
3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine
CID 143181693

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine?
The IUPAC name of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine (CID 70416977) is 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine.
What is the SMILES notation for 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine?
The canonical SMILES for 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine is CN1C=CCC2=C3NC(N)=NC=C3CCC21.
What is the InChIKey of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine?
The InChIKey is UBGVDJTXDWWCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-6-2-3-9-10(16)5-4-8-7-14-12(13)15-11(8)9/h2,6-7,10H,3-5H2,1H3,(H3,13,14,15).
What are the key properties of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine?
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine is sourced from PubChem (CID 70416977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).