4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid

C14H15N3O2 — CID 114214476

IUPAC4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(CCc1ccccc1)c1ncncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-17(8-7-11-5-3-2-4-6-11)13-12(14(18)19)9-15-10-16-13/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyMXYRMMUCVLGGDB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.85
Rot. Bonds5

About 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid

4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 114214476) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid
PubChem CID114214476
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(CCc1ccccc1)c1ncncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-17(8-7-11-5-3-2-4-6-11)13-12(14(18)19)9-15-10-16-13/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyMXYRMMUCVLGGDB-UHFFFAOYSA-N
XLogP1.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]pyrimidine-5-carboxylic acid
CID 115149008
4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
CID 115148967
4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
CID 115148880
4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 115148973
[2-[methyl(2-phenylethyl)amino]-3-pyridinyl]methanol
CID 65488591
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
4-[(5-chlorothiophen-2-yl)-methylamino]pyrimidine-5-carboxylic acid
CID 115148889
(2S)-2-methyl-3-[methyl-(5-phenylpyrimidin-4-yl)amino]propanoic acid
CID 164637169
4-[(5-bromothiophen-2-yl)-methylamino]pyrimidine-5-carboxylic acid
CID 115148890
2-amino-4-fluoro-5-[methyl(2-phenylethyl)amino]benzoic acid
CID 65488128

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid (CID 114214476) is 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid is CN(CCc1ccccc1)c1ncncc1C(=O)O.
What is the InChIKey of 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is MXYRMMUCVLGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(8-7-11-5-3-2-4-6-11)13-12(14(18)19)9-15-10-16-13/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid?
4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).