2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide

C14H16N6 — CID 107550523

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C14H16N6/c1-19-8-9-20(12-5-3-2-4-11(12)19)14-17-7-6-10(18-14)13(15)16/h2-7H,8-9H2,1H3,(H3,15,16)
InChIKeyBXTXILWFRSHXSS-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.35
Rot. Bonds2

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 107550523) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
PubChem CID107550523
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C14H16N6/c1-19-8-9-20(12-5-3-2-4-11(12)19)14-17-7-6-10(18-14)13(15)16/h2-7H,8-9H2,1H3,(H3,15,16)
InChIKeyBXTXILWFRSHXSS-UHFFFAOYSA-N
XLogP1.35
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide (CID 107550523) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCN(C)c3ccccc32)n1.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is BXTXILWFRSHXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-19-8-9-20(12-5-3-2-4-11(12)19)14-17-7-6-10(18-14)13(15)16/h2-7H,8-9H2,1H3,(H3,15,16).
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 268.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).