methyl 2-methylpyrimidine-4-carboximidate

C7H9N3O — CID 115528102

IUPACmethyl 2-methylpyrimidine-4-carboximidate
SMILES[H]/N=C(\OC)c1ccnc(C)n1
InChIInChI=1S/C7H9N3O/c1-5-9-4-3-6(10-5)7(8)11-2/h3-4,8H,1-2H3/b8-7-
InChIKeyKINOJWUPEUUTJO-FPLPWBNLSA-N
MW151.17 g/mol
LogP0.76
Rot. Bonds1

About methyl 2-methylpyrimidine-4-carboximidate

methyl 2-methylpyrimidine-4-carboximidate (PubChem CID 115528102) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is methyl 2-methylpyrimidine-4-carboximidate.

Molecular Properties

Compound Namemethyl 2-methylpyrimidine-4-carboximidate
PubChem CID115528102
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Namemethyl 2-methylpyrimidine-4-carboximidate
SMILES[H]/N=C(\OC)c1ccnc(C)n1
InChIInChI=1S/C7H9N3O/c1-5-9-4-3-6(10-5)7(8)11-2/h3-4,8H,1-2H3/b8-7-
InChIKeyKINOJWUPEUUTJO-FPLPWBNLSA-N
XLogP0.76
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
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

methyl pyrimidine-2-carboximidate
CID 45080302
methyl quinoline-8-carboximidate
CID 63970769
2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 115529797
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
2-bromo-1-(2-methylpyrimidin-4-yl)ethanone
CID 130867076
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
N'-ethyl-2-methylpyrimidine-4-carboximidamide
CID 115531332
1-(2-methylpyrimidin-4-yl)butan-1-one
CID 23333315
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
CID 110836208
(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine
CID 89240737
1-(2-methylpyrimidin-4-yl)pent-4-yn-1-one
CID 115529727
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpyrimidine-4-carboximidate?
The IUPAC name of methyl 2-methylpyrimidine-4-carboximidate (CID 115528102) is methyl 2-methylpyrimidine-4-carboximidate.
What is the SMILES notation for methyl 2-methylpyrimidine-4-carboximidate?
The canonical SMILES for methyl 2-methylpyrimidine-4-carboximidate is [H]/N=C(\OC)c1ccnc(C)n1.
What is the InChIKey of methyl 2-methylpyrimidine-4-carboximidate?
The InChIKey is KINOJWUPEUUTJO-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5-9-4-3-6(10-5)7(8)11-2/h3-4,8H,1-2H3/b8-7-.
What are the key properties of methyl 2-methylpyrimidine-4-carboximidate?
methyl 2-methylpyrimidine-4-carboximidate has a molecular weight of 151.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpyrimidine-4-carboximidate is sourced from PubChem (CID 115528102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).