N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C23H31N7 — CID 140943219

IUPACN-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(C)C1CCN(c2nccc3nc(CN(C)C4CCCc5cccnc54)cn23)C1
InChIInChI=1S/C23H31N7/c1-27(2)19-10-13-29(16-19)23-25-12-9-21-26-18(15-30(21)23)14-28(3)20-8-4-6-17-7-5-11-24-22(17)20/h5,7,9,11-12,15,19-20H,4,6,8,10,13-14,16H2,1-3H3
InChIKeyUGGDWXMDOLJGGU-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.77
Rot. Bonds5

About N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 140943219) has the molecular formula C23H31N7 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID140943219
Molecular FormulaC23H31N7
Molecular Weight405.55 g/mol
Exact Mass405.26
IUPAC NameN-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(C)C1CCN(c2nccc3nc(CN(C)C4CCCc5cccnc54)cn23)C1
InChIInChI=1S/C23H31N7/c1-27(2)19-10-13-29(16-19)23-25-12-9-21-26-18(15-30(21)23)14-28(3)20-8-4-6-17-7-5-11-24-22(17)20/h5,7,9,11-12,15,19-20H,4,6,8,10,13-14,16H2,1-3H3
InChIKeyUGGDWXMDOLJGGU-UHFFFAOYSA-N
XLogP2.77
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[[5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11509653
(8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159098315
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250220
(8S)-N-[[5-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250795
N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250303
N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 135375719
N-methyl-N-[[5-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250458
N-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501628
9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
CID 135375621
N-[[5-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545595
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11627977

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 140943219) is N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(C)C1CCN(c2nccc3nc(CN(C)C4CCCc5cccnc54)cn23)C1.
What is the InChIKey of N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is UGGDWXMDOLJGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7/c1-27(2)19-10-13-29(16-19)23-25-12-9-21-26-18(15-30(21)23)14-28(3)20-8-4-6-17-7-5-11-24-22(17)20/h5,7,9,11-12,15,19-20H,4,6,8,10,13-14,16H2,1-3H3.
What are the key properties of N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 405.55 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 140943219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).