4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid

C19H15N5O2 — CID 150419057

IUPAC4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid
SMILESN#Cc1ccc(-c2nc(NCCc3ccccn3)ncc2C(=O)O)cc1
InChIInChI=1S/C19H15N5O2/c20-11-13-4-6-14(7-5-13)17-16(18(25)26)12-23-19(24-17)22-10-8-15-3-1-2-9-21-15/h1-7,9,12H,8,10H2,(H,25,26)(H,22,23,24)
InChIKeyHHJPHVJSPNBPOU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.76
Rot. Bonds6

About 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid

4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid (PubChem CID 150419057) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid
PubChem CID150419057
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid
SMILESN#Cc1ccc(-c2nc(NCCc3ccccn3)ncc2C(=O)O)cc1
InChIInChI=1S/C19H15N5O2/c20-11-13-4-6-14(7-5-13)17-16(18(25)26)12-23-19(24-17)22-10-8-15-3-1-2-9-21-15/h1-7,9,12H,8,10H2,(H,25,26)(H,22,23,24)
InChIKeyHHJPHVJSPNBPOU-UHFFFAOYSA-N
XLogP2.76
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 163349835
4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethylamino]pyrimidine-5-carboxylic acid
CID 172789996
6-[2-[[4-(4-cyanophenyl)-5-ethoxycarbonylpyrimidin-2-yl]amino]ethylamino]pyridine-3-carboxylic acid
CID 22142731
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273415
2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 143015963
4-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915956
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
4-(4-cyanophenyl)-2-(4-prop-2-enylphenyl)pyrimidine-5-carboxylic acid
CID 67899182
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
4-[2-[(3-chlorophenyl)methylamino]-5-(3,5-dimethylpiperidine-1-carbonyl)pyrimidin-4-yl]benzonitrile
CID 59421135

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid (CID 150419057) is 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid is N#Cc1ccc(-c2nc(NCCc3ccccn3)ncc2C(=O)O)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is HHJPHVJSPNBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-11-13-4-6-14(7-5-13)17-16(18(25)26)12-23-19(24-17)22-10-8-15-3-1-2-9-21-15/h1-7,9,12H,8,10H2,(H,25,26)(H,22,23,24).
What are the key properties of 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid?
4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 150419057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).