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

C26H35N7O — CID 129250458

IUPACN-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
SMILESCN(Cc1cn2c(N3CCN(C[C@@H]4CCCO4)CC3)nccc2n1)C1CCCc2cccnc21
InChIInChI=1S/C26H35N7O/c1-30(23-8-2-5-20-6-3-10-27-25(20)23)17-21-18-33-24(29-21)9-11-28-26(33)32-14-12-31(13-15-32)19-22-7-4-16-34-22/h3,6,9-11,18,22-23H,2,4-5,7-8,12-17,19H2,1H3/t22-,23?/m0/s1
InChIKeyIUWBEAXSUOGSFS-NQCNTLBGSA-N
MW461.61 g/mol
LogP2.93
Rot. Bonds6

About 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

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 (PubChem CID 129250458) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID129250458
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC NameN-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
SMILESCN(Cc1cn2c(N3CCN(C[C@@H]4CCCO4)CC3)nccc2n1)C1CCCc2cccnc21
InChIInChI=1S/C26H35N7O/c1-30(23-8-2-5-20-6-3-10-27-25(20)23)17-21-18-33-24(29-21)9-11-28-26(33)32-14-12-31(13-15-32)19-22-7-4-16-34-22/h3,6,9-11,18,22-23H,2,4-5,7-8,12-17,19H2,1H3/t22-,23?/m0/s1
InChIKeyIUWBEAXSUOGSFS-NQCNTLBGSA-N
XLogP2.93
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(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
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250220
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
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
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-[(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
9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
CID 135375506
2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 138501716
(8S)-N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 24829994
N-[[3-chloro-5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276085

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1cn2c(N3CCN(C[C@@H]4CCCO4)CC3)nccc2n1)C1CCCc2cccnc21.
What is the InChIKey of 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?
The InChIKey is IUWBEAXSUOGSFS-NQCNTLBGSA-N. The full InChI is InChI=1S/C26H35N7O/c1-30(23-8-2-5-20-6-3-10-27-25(20)23)17-21-18-33-24(29-21)9-11-28-26(33)32-14-12-31(13-15-32)19-22-7-4-16-34-22/h3,6,9-11,18,22-23H,2,4-5,7-8,12-17,19H2,1H3/t22-,23?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 461.61 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129250458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).