methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate

C12H15N5O2 — CID 66286852

IUPACmethyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCn2ccnc2)n1
InChIInChI=1S/C12H15N5O2/c1-9-7-10(16-11(15-9)12(18)19-2)14-4-6-17-5-3-13-8-17/h3,5,7-8H,4,6H2,1-2H3,(H,14,15,16)
InChIKeyQVFYCALADOVVPR-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.88
Rot. Bonds5

About methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate

methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate (PubChem CID 66286852) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate
PubChem CID66286852
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Namemethyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCn2ccnc2)n1
InChIInChI=1S/C12H15N5O2/c1-9-7-10(16-11(15-9)12(18)19-2)14-4-6-17-5-3-13-8-17/h3,5,7-8H,4,6H2,1-2H3,(H,14,15,16)
InChIKeyQVFYCALADOVVPR-UHFFFAOYSA-N
XLogP0.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
CID 66285017
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
CID 113470480
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
CID 80947963
N-(2-imidazol-1-ylethyl)-6-methoxypyridin-2-amine
CID 63590047
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate (CID 66286852) is methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCn2ccnc2)n1.
What is the InChIKey of methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate?
The InChIKey is QVFYCALADOVVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-7-10(16-11(15-9)12(18)19-2)14-4-6-17-5-3-13-8-17/h3,5,7-8H,4,6H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate?
methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).