N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine

C23H26N4 — CID 54451589

IUPACN,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine
SMILESCc1nc(N2CCc3ccccc3C2C)nc(N(C)c2ccccc2)c1C
InChIInChI=1S/C23H26N4/c1-16-17(2)24-23(25-22(16)26(4)20-11-6-5-7-12-20)27-15-14-19-10-8-9-13-21(19)18(27)3/h5-13,18H,14-15H2,1-4H3
InChIKeyWVIVAVHEGRSVQA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.99
Rot. Bonds3

About N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine

N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine (PubChem CID 54451589) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine
PubChem CID54451589
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine
SMILESCc1nc(N2CCc3ccccc3C2C)nc(N(C)c2ccccc2)c1C
InChIInChI=1S/C23H26N4/c1-16-17(2)24-23(25-22(16)26(4)20-11-6-5-7-12-20)27-15-14-19-10-8-9-13-21(19)18(27)3/h5-13,18H,14-15H2,1-4H3
InChIKeyWVIVAVHEGRSVQA-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine with MolForge

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Related Compounds

4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine
CID 54312153
2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 133343956
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
CID 54089583
N-[4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]propan-1-imine
CID 57100121
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
N-butyl-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
CID 18315779
(1S)-2-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 175310429
2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683227
(1S)-2-[2-[(4-chlorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683214
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
2-[2-[1-(4-fluorophenyl)cyclopropyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683168

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine (CID 54451589) is N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine is Cc1nc(N2CCc3ccccc3C2C)nc(N(C)c2ccccc2)c1C.
What is the InChIKey of N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is WVIVAVHEGRSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-16-17(2)24-23(25-22(16)26(4)20-11-6-5-7-12-20)27-15-14-19-10-8-9-13-21(19)18(27)3/h5-13,18H,14-15H2,1-4H3.
What are the key properties of N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine?
N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 358.49 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 54451589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).