(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C21H27N7 — CID 129250220

IUPAC(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1cn2c(N3CCNCC3)nccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C21H27N7/c1-26(18-6-2-4-16-5-3-8-23-20(16)18)14-17-15-28-19(25-17)7-9-24-21(28)27-12-10-22-11-13-27/h3,5,7-9,15,18,22H,2,4,6,10-14H2,1H3/t18-/m0/s1
InChIKeyJSPIRCKLQXCGHS-SFHVURJKSA-N
MW377.50 g/mol
LogP2.04
Rot. Bonds4

About (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 129250220) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID129250220
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1cn2c(N3CCNCC3)nccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C21H27N7/c1-26(18-6-2-4-16-5-3-8-23-20(16)18)14-17-15-28-19(25-17)7-9-24-21(28)27-12-10-22-11-13-27/h3,5,7-9,15,18,22H,2,4,6,10-14H2,1H3/t18-/m0/s1
InChIKeyJSPIRCKLQXCGHS-SFHVURJKSA-N
XLogP2.04
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[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-[[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-[[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-[[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-[[(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-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
(8S)-N-methyl-N-[[2-methyl-6-(4-piperazin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501518
N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545596
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

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 129250220) is (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1cn2c(N3CCNCC3)nccc2n1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JSPIRCKLQXCGHS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N7/c1-26(18-6-2-4-16-5-3-8-23-20(16)18)14-17-15-28-19(25-17)7-9-24-21(28)27-12-10-22-11-13-27/h3,5,7-9,15,18,22H,2,4,6,10-14H2,1H3/t18-/m0/s1.
What are the key properties of (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 377.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 129250220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).