4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid

C13H14N4O2 — CID 103250555

IUPAC4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCc1ccc(CNCc2ncncc2C(=O)O)cn1
InChIInChI=1S/C13H14N4O2/c1-9-2-3-10(5-16-9)4-14-7-12-11(13(18)19)6-15-8-17-12/h2-3,5-6,8,14H,4,7H2,1H3,(H,18,19)
InChIKeyTUDJTQQSSLDQOJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.17
Rot. Bonds5

About 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid

4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103250555) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103250555
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCc1ccc(CNCc2ncncc2C(=O)O)cn1
InChIInChI=1S/C13H14N4O2/c1-9-2-3-10(5-16-9)4-14-7-12-11(13(18)19)6-15-8-17-12/h2-3,5-6,8,14H,4,7H2,1H3,(H,18,19)
InChIKeyTUDJTQQSSLDQOJ-UHFFFAOYSA-N
XLogP1.17
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-cyanophenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103240110
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103243699
4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103239885
4-[(2-hydroxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103238229
4-[[2-(4-chlorophenyl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 103247044
4-[[(3-cyanophenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103240146
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103256332
4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103265330
4-[(2-methylsulfanylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265434
4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103256249
4-[(4-bromo-3,5-dimethylanilino)methyl]pyrimidine-5-carboxylic acid
CID 107575599
4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106287935

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid (CID 103250555) is 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid is Cc1ccc(CNCc2ncncc2C(=O)O)cn1.
What is the InChIKey of 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is TUDJTQQSSLDQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-2-3-10(5-16-9)4-14-7-12-11(13(18)19)6-15-8-17-12/h2-3,5-6,8,14H,4,7H2,1H3,(H,18,19).
What are the key properties of 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103250555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).