N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine

C21H26N6 — CID 110092434

IUPACN-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
SMILESCNc1cc(CN(C)Cc2cccc3cccnc23)nc(C2CCCN2)n1
InChIInChI=1S/C21H26N6/c1-22-19-12-17(25-21(26-19)18-9-5-10-23-18)14-27(2)13-16-7-3-6-15-8-4-11-24-20(15)16/h3-4,6-8,11-12,18,23H,5,9-10,13-14H2,1-2H3,(H,22,25,26)
InChIKeyROEXSMXWLRIDLC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine

N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine (PubChem CID 110092434) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
PubChem CID110092434
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
SMILESCNc1cc(CN(C)Cc2cccc3cccnc23)nc(C2CCCN2)n1
InChIInChI=1S/C21H26N6/c1-22-19-12-17(25-21(26-19)18-9-5-10-23-18)14-27(2)13-16-7-3-6-15-8-4-11-24-20(15)16/h3-4,6-8,11-12,18,23H,5,9-10,13-14H2,1-2H3,(H,22,25,26)
InChIKeyROEXSMXWLRIDLC-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-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092413
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
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
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110092399
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine (CID 110092434) is N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine is CNc1cc(CN(C)Cc2cccc3cccnc23)nc(C2CCCN2)n1.
What is the InChIKey of N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
The InChIKey is ROEXSMXWLRIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-22-19-12-17(25-21(26-19)18-9-5-10-23-18)14-27(2)13-16-7-3-6-15-8-4-11-24-20(15)16/h3-4,6-8,11-12,18,23H,5,9-10,13-14H2,1-2H3,(H,22,25,26).
What are the key properties of N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine?
N-methyl-6-[[methyl(quinolin-8-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-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110092434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).