methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate

C13H14N4O2 — CID 66287616

IUPACmethyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ccccn2)n1
InChIInChI=1S/C13H14N4O2/c1-9-7-11(17-12(16-9)13(18)19-2)15-8-10-5-3-4-6-14-10/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyCPIMLCMOQMUXSI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.58
Rot. Bonds4

About methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate (PubChem CID 66287616) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
PubChem CID66287616
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ccccn2)n1
InChIInChI=1S/C13H14N4O2/c1-9-7-11(17-12(16-9)13(18)19-2)15-8-10-5-3-4-6-14-10/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyCPIMLCMOQMUXSI-UHFFFAOYSA-N
XLogP1.58
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
methyl 4-[[6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112919358
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
methyl 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66286050
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
ethyl 4-[[4-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112919225
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate (CID 66287616) is methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCc2ccccn2)n1.
What is the InChIKey of methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate?
The InChIKey is CPIMLCMOQMUXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-7-11(17-12(16-9)13(18)19-2)15-8-10-5-3-4-6-14-10/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66287616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).