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

C14H15N3O3 — CID 103239885

IUPAC4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCOc1cccc(CNCc2ncncc2C(=O)O)c1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-3-10(5-11)6-15-8-13-12(14(18)19)7-16-9-17-13/h2-5,7,9,15H,6,8H2,1H3,(H,18,19)
InChIKeyGNMFHDBYJXASEF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.47
Rot. Bonds6

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

4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103239885) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103239885
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCOc1cccc(CNCc2ncncc2C(=O)O)c1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-3-10(5-11)6-15-8-13-12(14(18)19)7-16-9-17-13/h2-5,7,9,15H,6,8H2,1H3,(H,18,19)
InChIKeyGNMFHDBYJXASEF-UHFFFAOYSA-N
XLogP1.47
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid 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

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-5-carboxylic acid
CID 102974227
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 118784345
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
4-[(3-bromophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973498
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
5-[[(3-methoxyphenyl)methylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103239896
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid (CID 103239885) is 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid is COc1cccc(CNCc2ncncc2C(=O)O)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is GNMFHDBYJXASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-11-4-2-3-10(5-11)6-15-8-13-12(14(18)19)7-16-9-17-13/h2-5,7,9,15H,6,8H2,1H3,(H,18,19).
What are the key properties of 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103239885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).