N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine

C21H26N6 — CID 110092413

IUPACN-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
SMILESCNc1cc(CN(C)Cc2cccc3ncccc23)nc(C2CCCN2)n1
InChIInChI=1S/C21H26N6/c1-22-20-12-16(25-21(26-20)19-9-5-11-24-19)14-27(2)13-15-6-3-8-18-17(15)7-4-10-23-18/h3-4,6-8,10,12,19,24H,5,9,11,13-14H2,1-2H3,(H,22,25,26)
InChIKeyKDOYBQVJEUSBEL-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine

N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine (PubChem CID 110092413) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
PubChem CID110092413
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
SMILESCNc1cc(CN(C)Cc2cccc3ncccc23)nc(C2CCCN2)n1
InChIInChI=1S/C21H26N6/c1-22-20-12-16(25-21(26-20)19-9-5-11-24-19)14-27(2)13-15-6-3-8-18-17(15)7-4-10-23-18/h3-4,6-8,10,12,19,24H,5,9,11,13-14H2,1-2H3,(H,22,25,26)
InChIKeyKDOYBQVJEUSBEL-UHFFFAOYSA-N
XLogP3.12
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092434
6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride
CID 171687266
6-[(dimethylamino)methyl]-N-methyl-2-piperidin-2-ylpyrimidin-4-amine
CID 66509772
6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 92638481
N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 92624402
4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 110092409
N-methyl-N-[[6-(methylamino)-2-[(2S)-piperidin-2-yl]pyrimidin-4-yl]methyl]-2-phenylbenzamide
CID 92624281
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 110089038
N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110092399
N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
CID 92624284
5-(piperidin-3-ylmethyl)quinoline
CID 73439136

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine (CID 110092413) is N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine is CNc1cc(CN(C)Cc2cccc3ncccc23)nc(C2CCCN2)n1.
What is the InChIKey of N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
The InChIKey is KDOYBQVJEUSBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-22-20-12-16(25-21(26-20)19-9-5-11-24-19)14-27(2)13-15-6-3-8-18-17(15)7-4-10-23-18/h3-4,6-8,10,12,19,24H,5,9,11,13-14H2,1-2H3,(H,22,25,26).
What are the key properties of N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110092413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).