7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium

C8H11N3 — CID 58778078

IUPAC7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium
SMILES[CH2-][NH+]1CCc2cncnc2C1
InChIInChI=1S/C8H11N3/c1-11-3-2-7-4-9-6-10-8(7)5-11/h4,6,11H,1-3,5H2
InChIKeyDCQGDFLWKQKOJA-UHFFFAOYSA-N
MW149.20 g/mol
LogP-0.79
Rot. Bonds

About 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium

7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium (PubChem CID 58778078) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium.

Molecular Properties

Compound Name7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium
PubChem CID58778078
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium
SMILES[CH2-][NH+]1CCc2cncnc2C1
InChIInChI=1S/C8H11N3/c1-11-3-2-7-4-9-6-10-8(7)5-11/h4,6,11H,1-3,5H2
InChIKeyDCQGDFLWKQKOJA-UHFFFAOYSA-N
XLogP-0.79
TPSA30.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 22707087
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 67414259
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
7-propan-2-yl-5,6,7,8-tetrahydroquinazoline
CID 153295607
4-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)thiomorpholine
CID 68620526
6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126687707
5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83816750
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
5,8,9,10-tetrahydropyrimido[4,5-d]azocine
CID 154397752
7-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 167907458
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853

Frequently Asked Questions

What is the IUPAC name of 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium?
The IUPAC name of 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium (CID 58778078) is 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium.
What is the SMILES notation for 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium?
The canonical SMILES for 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium is [CH2-][NH+]1CCc2cncnc2C1.
What is the InChIKey of 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium?
The InChIKey is DCQGDFLWKQKOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-11-3-2-7-4-9-6-10-8(7)5-11/h4,6,11H,1-3,5H2.
What are the key properties of 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium?
7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium has a molecular weight of 149.20 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium is sourced from PubChem (CID 58778078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).