6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide

C9H9N5 — CID 172623035

IUPAC6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc2cc(C)cnc2n1
InChIInChI=1S/C9H9N5/c1-5-2-6-4-13-9(7(10)11)14-8(6)12-3-5/h2-4H,1H3,(H3,10,11)
InChIKeyWPFAYLUYJBVVLU-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.62
Rot. Bonds1

About 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide

6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide (PubChem CID 172623035) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide
PubChem CID172623035
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc2cc(C)cnc2n1
InChIInChI=1S/C9H9N5/c1-5-2-6-4-13-9(7(10)11)14-8(6)12-3-5/h2-4H,1H3,(H3,10,11)
InChIKeyWPFAYLUYJBVVLU-UHFFFAOYSA-N
XLogP0.62
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;6-methylquinazoline-2-carboximidamide
CID 172623100
ethane;3-methyl-1,7-naphthyridine-6-carboximidamide
CID 172622984
7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide
CID 164792579
3,5-dimethylpyridine-2-carboximidamide
CID 112703746
isoquinoline-3-carboximidamide
CID 5069411
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829
5-prop-1-en-2-ylpyrimidine-2-carboximidamide
CID 146660260
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427
3-methylisoquinoline-1-carboximidamide
CID 82573405
3,6-dimethylpyrazine-2-carboximidamide;hydrochloride
CID 122129858
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide?
The IUPAC name of 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide (CID 172623035) is 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide.
What is the SMILES notation for 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide?
The canonical SMILES for 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide is [H]/N=C(\N)c1ncc2cc(C)cnc2n1.
What is the InChIKey of 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide?
The InChIKey is WPFAYLUYJBVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-5-2-6-4-13-9(7(10)11)14-8(6)12-3-5/h2-4H,1H3,(H3,10,11).
What are the key properties of 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide?
6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide has a molecular weight of 187.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide is sourced from PubChem (CID 172623035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).