methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate

C14H17N5O2 — CID 158779478

IUPACmethyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2nc(C)nc(C)c2N)cn1
InChIInChI=1S/C14H17N5O2/c1-8-12(15)13(19-9(2)18-8)17-7-10-4-5-11(16-6-10)14(20)21-3/h4-6H,7,15H2,1-3H3,(H,17,18,19)
InChIKeyIQWRPBKPOWMFJC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds4

About methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate

methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate (PubChem CID 158779478) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate
PubChem CID158779478
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2nc(C)nc(C)c2N)cn1
InChIInChI=1S/C14H17N5O2/c1-8-12(15)13(19-9(2)18-8)17-7-10-4-5-11(16-6-10)14(20)21-3/h4-6H,7,15H2,1-3H3,(H,17,18,19)
InChIKeyIQWRPBKPOWMFJC-UHFFFAOYSA-N
XLogP1.47
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethyl-4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 146843134
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
CID 158200511
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831875
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 4-[[(5-cyano-2-methylpyrimidin-4-yl)amino]methyl]benzoate
CID 71173554
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate (CID 158779478) is methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate is COC(=O)c1ccc(CNc2nc(C)nc(C)c2N)cn1.
What is the InChIKey of methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is IQWRPBKPOWMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-12(15)13(19-9(2)18-8)17-7-10-4-5-11(16-6-10)14(20)21-3/h4-6H,7,15H2,1-3H3,(H,17,18,19).
What are the key properties of methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate?
methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 158779478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).