2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C18H20N6O2 — CID 70736552

IUPAC2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCCc1nccn1C)c1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C18H20N6O2/c1-23-11-9-20-16(23)4-3-10-24(2)18-21-8-6-14(22-18)15-12-13(17(25)26)5-7-19-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,26)
InChIKeyLZOQUMISBVYLMT-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.04
Rot. Bonds7

About 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70736552) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70736552
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCCc1nccn1C)c1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C18H20N6O2/c1-23-11-9-20-16(23)4-3-10-24(2)18-21-8-6-14(22-18)15-12-13(17(25)26)5-7-19-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,26)
InChIKeyLZOQUMISBVYLMT-UHFFFAOYSA-N
XLogP2.04
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74235815
2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70722653
2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878281
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 46997101
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
CID 72881255
5-ethyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-2-amine
CID 72851312
N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 118784969
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70736552) is 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid is CN(CCCc1nccn1C)c1nccc(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is LZOQUMISBVYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-11-9-20-16(23)4-3-10-24(2)18-21-8-6-14(22-18)15-12-13(17(25)26)5-7-19-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 352.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70736552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).