N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine

C22H26N4S — CID 77080810

IUPACN,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc(C2CCCN2Cc2cnc(-c3cccs3)nc2)cc1
InChIInChI=1S/C22H26N4S/c1-25(2)15-17-7-9-19(10-8-17)20-5-3-11-26(20)16-18-13-23-22(24-14-18)21-6-4-12-27-21/h4,6-10,12-14,20H,3,5,11,15-16H2,1-2H3
InChIKeyMRQWPEJVKALUFH-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.60
Rot. Bonds6

About N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine

N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine (PubChem CID 77080810) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine
PubChem CID77080810
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC NameN,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc(C2CCCN2Cc2cnc(-c3cccs3)nc2)cc1
InChIInChI=1S/C22H26N4S/c1-25(2)15-17-7-9-19(10-8-17)20-5-3-11-26(20)16-18-13-23-22(24-14-18)21-6-4-12-27-21/h4,6-10,12-14,20H,3,5,11,15-16H2,1-2H3
InChIKeyMRQWPEJVKALUFH-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine with MolForge

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Related Compounds

3-methyl-5-[(2S)-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99930139
N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
CID 95896839
5-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 39976721
N,N-dimethyl-1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]phenyl]methanamine;formic acid
CID 154914569
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
1-[4-[[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 95724830
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 70728855
5-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 99936698
(3aR,6R,7aS)-3a,6-dimethoxy-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 119070185
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine (CID 77080810) is N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine is CN(C)Cc1ccc(C2CCCN2Cc2cnc(-c3cccs3)nc2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine?
The InChIKey is MRQWPEJVKALUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-25(2)15-17-7-9-19(10-8-17)20-5-3-11-26(20)16-18-13-23-22(24-14-18)21-6-4-12-27-21/h4,6-10,12-14,20H,3,5,11,15-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine?
N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine has a molecular weight of 378.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine is sourced from PubChem (CID 77080810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).