(4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C19H20N6O2 — CID 95870312

IUPAC(4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1c2nc[nH]c2CCN1Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H20N6O2/c26-18(27)17-16-15(23-12-24-16)6-7-25(17)11-14-9-21-19(22-10-14)20-8-13-4-2-1-3-5-13/h1-5,9-10,12,17H,6-8,11H2,(H,23,24)(H,26,27)(H,20,21,22)/t17-/m1/s1
InChIKeyYJSNKJFCZXLXTJ-QGZVFWFLSA-N
MW364.41 g/mol
LogP2.00
Rot. Bonds6

About (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95870312) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95870312
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1c2nc[nH]c2CCN1Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H20N6O2/c26-18(27)17-16-15(23-12-24-16)6-7-25(17)11-14-9-21-19(22-10-14)20-8-13-4-2-1-3-5-13/h1-5,9-10,12,17H,6-8,11H2,(H,23,24)(H,26,27)(H,20,21,22)/t17-/m1/s1
InChIKeyYJSNKJFCZXLXTJ-QGZVFWFLSA-N
XLogP2.00
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95870312) is (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)[C@H]1c2nc[nH]c2CCN1Cc1cnc(NCc2ccccc2)nc1.
What is the InChIKey of (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is YJSNKJFCZXLXTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-18(27)17-16-15(23-12-24-16)6-7-25(17)11-14-9-21-19(22-10-14)20-8-13-4-2-1-3-5-13/h1-5,9-10,12,17H,6-8,11H2,(H,23,24)(H,26,27)(H,20,21,22)/t17-/m1/s1.
What are the key properties of (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95870312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).