2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide

C9H10N6 — CID 107550765

IUPAC2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(-n2ccnc2)n1
InChIInChI=1S/C9H10N6/c1-6-4-7(8(10)11)14-9(13-6)15-3-2-12-5-15/h2-5H,1H3,(H3,10,11)
InChIKeyVQACNCKHFNTWRJ-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.25
Rot. Bonds2

About 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide

2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550765) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
PubChem CID107550765
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(-n2ccnc2)n1
InChIInChI=1S/C9H10N6/c1-6-4-7(8(10)11)14-9(13-6)15-3-2-12-5-15/h2-5H,1H3,(H3,10,11)
InChIKeyVQACNCKHFNTWRJ-UHFFFAOYSA-N
XLogP0.25
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.25
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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Related Compounds

4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide
CID 81052434
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
6-imidazol-1-ylpyridine-2-carboximidamide
CID 64595368
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799
6-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboximidamide
CID 107550721
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
CID 133054142
2-imidazol-1-ylpyridine-4-carboximidamide
CID 24703180

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide (CID 107550765) is 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide?
The InChIKey is VQACNCKHFNTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-6-4-7(8(10)11)14-9(13-6)15-3-2-12-5-15/h2-5H,1H3,(H3,10,11).
What are the key properties of 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide?
2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide has a molecular weight of 202.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).