4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine

C22H24N4 — CID 54312153

IUPAC4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine
SMILESCc1nc(Nc2ccccc2)nc(N2CCc3ccccc3[C@H]2C)c1C
InChIInChI=1S/C22H24N4/c1-15-16(2)23-22(24-19-10-5-4-6-11-19)25-21(15)26-14-13-18-9-7-8-12-20(18)17(26)3/h4-12,17H,13-14H2,1-3H3,(H,23,24,25)/t17-/m1/s1
InChIKeySLQLQODGVZIOGG-QGZVFWFLSA-N
MW344.46 g/mol
LogP4.96
Rot. Bonds3

About 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine

4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine (PubChem CID 54312153) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine
PubChem CID54312153
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine
SMILESCc1nc(Nc2ccccc2)nc(N2CCc3ccccc3[C@H]2C)c1C
InChIInChI=1S/C22H24N4/c1-15-16(2)23-22(24-19-10-5-4-6-11-19)25-21(15)26-14-13-18-9-7-8-12-20(18)17(26)3/h4-12,17H,13-14H2,1-3H3,(H,23,24,25)/t17-/m1/s1
InChIKeySLQLQODGVZIOGG-QGZVFWFLSA-N
XLogP4.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine (CID 54312153) is 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine is Cc1nc(Nc2ccccc2)nc(N2CCc3ccccc3[C@H]2C)c1C.
What is the InChIKey of 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is SLQLQODGVZIOGG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4/c1-15-16(2)23-22(24-19-10-5-4-6-11-19)25-21(15)26-14-13-18-9-7-8-12-20(18)17(26)3/h4-12,17H,13-14H2,1-3H3,(H,23,24,25)/t17-/m1/s1.
What are the key properties of 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine?
4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 54312153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).