2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C19H18N4O2 — CID 56878281

IUPAC2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-3-5-14(6-4-13)12-23(2)19-21-10-8-16(22-19)17-11-15(18(24)25)7-9-20-17/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyDASCOSPKCJOFNK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 56878281) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID56878281
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-3-5-14(6-4-13)12-23(2)19-21-10-8-16(22-19)17-11-15(18(24)25)7-9-20-17/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyDASCOSPKCJOFNK-UHFFFAOYSA-N
XLogP3.18
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 56878281) is 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid is Cc1ccc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)cc1.
What is the InChIKey of 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is DASCOSPKCJOFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-3-5-14(6-4-13)12-23(2)19-21-10-8-16(22-19)17-11-15(18(24)25)7-9-20-17/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56878281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).