4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine

C19H26N4 — CID 18315628

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(NCC(C)C)nc(N2CCc3ccccc3C2)c1C
InChIInChI=1S/C19H26N4/c1-13(2)11-20-19-21-15(4)14(3)18(22-19)23-10-9-16-7-5-6-8-17(16)12-23/h5-8,13H,9-12H2,1-4H3,(H,20,21,22)
InChIKeyOBSPISKSWBOXCK-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.72
Rot. Bonds4

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 18315628) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID18315628
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(NCC(C)C)nc(N2CCc3ccccc3C2)c1C
InChIInChI=1S/C19H26N4/c1-13(2)11-20-19-21-15(4)14(3)18(22-19)23-10-9-16-7-5-6-8-17(16)12-23/h5-8,13H,9-12H2,1-4H3,(H,20,21,22)
InChIKeyOBSPISKSWBOXCK-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112883178
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
CID 54089583
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660
N-butyl-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
CID 18315779
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62749865
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 18315628) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine is Cc1nc(NCC(C)C)nc(N2CCc3ccccc3C2)c1C.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is OBSPISKSWBOXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-13(2)11-20-19-21-15(4)14(3)18(22-19)23-10-9-16-7-5-6-8-17(16)12-23/h5-8,13H,9-12H2,1-4H3,(H,20,21,22).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 310.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 18315628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).