5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H28N6 — CID 72864885

IUPAC5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(CC(C)C)nc(N2CCC(N3CCc4nc[nH]c4C3)C2)n1
InChIInChI=1S/C19H28N6/c1-13(2)8-15-9-14(3)22-19(23-15)25-6-4-16(10-25)24-7-5-17-18(11-24)21-12-20-17/h9,12-13,16H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyXODSBRQCZFMTNE-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.34
Rot. Bonds4

About 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 72864885) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID72864885
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(CC(C)C)nc(N2CCC(N3CCc4nc[nH]c4C3)C2)n1
InChIInChI=1S/C19H28N6/c1-13(2)8-15-9-14(3)22-19(23-15)25-6-4-16(10-25)24-7-5-17-18(11-24)21-12-20-17/h9,12-13,16H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyXODSBRQCZFMTNE-UHFFFAOYSA-N
XLogP2.34
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038954
3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 75423484
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
[1-(4-ethyl-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 69451869
5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786888
2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
CID 114682612
3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115973583
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-6-methylpyrimidine
CID 114220003
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 72864885) is 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cc(CC(C)C)nc(N2CCC(N3CCc4nc[nH]c4C3)C2)n1.
What is the InChIKey of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XODSBRQCZFMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-13(2)8-15-9-14(3)22-19(23-15)25-6-4-16(10-25)24-7-5-17-18(11-24)21-12-20-17/h9,12-13,16H,4-8,10-11H2,1-3H3,(H,20,21).
What are the key properties of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 340.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 72864885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).