6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine

C20H27N5 — CID 147421152

IUPAC6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(Cc2ccc3c(c2)CCN2CCNC[C@@H]32)cc(N(C)C)n1
InChIInChI=1S/C20H27N5/c1-14-22-17(12-20(23-14)24(2)3)11-15-4-5-18-16(10-15)6-8-25-9-7-21-13-19(18)25/h4-5,10,12,19,21H,6-9,11,13H2,1-3H3/t19-/m0/s1
InChIKeyDSMTUABWYBSROG-IBGZPJMESA-N
MW337.47 g/mol
LogP1.94
Rot. Bonds3

About 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine

6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine (PubChem CID 147421152) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine
PubChem CID147421152
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(Cc2ccc3c(c2)CCN2CCNC[C@@H]32)cc(N(C)C)n1
InChIInChI=1S/C20H27N5/c1-14-22-17(12-20(23-14)24(2)3)11-15-4-5-18-16(10-15)6-8-25-9-7-21-13-19(18)25/h4-5,10,12,19,21H,6-9,11,13H2,1-3H3/t19-/m0/s1
InChIKeyDSMTUABWYBSROG-IBGZPJMESA-N
XLogP1.94
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine with MolForge

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Related Compounds

9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 134420882
(11bR)-9-[(5-ethylpyrimidin-2-yl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 147981289
1-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]-3-(4-methylphenyl)propan-2-one
CID 146740295
(11bR)-N-[(3-methylphenyl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
CID 129150406
10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
CID 121003869
N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine
CID 134420885
(11bS)-N-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-amine
CID 118912039
(11bR)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-amine
CID 118912043
N-(6-chloro-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide;hydrochloride
CID 140788036
N,N,2-trimethyl-6-(methylaminomethyl)pyrimidin-4-amine
CID 83864220
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170181
6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141223810

Frequently Asked Questions

What is the IUPAC name of 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine (CID 147421152) is 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine is Cc1nc(Cc2ccc3c(c2)CCN2CCNC[C@@H]32)cc(N(C)C)n1.
What is the InChIKey of 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine?
The InChIKey is DSMTUABWYBSROG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N5/c1-14-22-17(12-20(23-14)24(2)3)11-15-4-5-18-16(10-15)6-8-25-9-7-21-13-19(18)25/h4-5,10,12,19,21H,6-9,11,13H2,1-3H3/t19-/m0/s1.
What are the key properties of 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine?
6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 147421152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).