4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine

C19H24N4O2 — CID 112907954

IUPAC4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(C)cc(N2CCc3cc(OC)c(OC)cc3C2)n1
InChIInChI=1S/C19H24N4O2/c1-5-7-20-19-21-13(2)9-18(22-19)23-8-6-14-10-16(24-3)17(25-4)11-15(14)12-23/h5,9-11H,1,6-8,12H2,2-4H3,(H,20,21,22)
InChIKeyZRSIVUJGZHWJAK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.96
Rot. Bonds6

About 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine

4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112907954) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID112907954
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(C)cc(N2CCc3cc(OC)c(OC)cc3C2)n1
InChIInChI=1S/C19H24N4O2/c1-5-7-20-19-21-13(2)9-18(22-19)23-8-6-14-10-16(24-3)17(25-4)11-15(14)12-23/h5,9-11H,1,6-8,12H2,2-4H3,(H,20,21,22)
InChIKeyZRSIVUJGZHWJAK-UHFFFAOYSA-N
XLogP2.96
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 112911568
N-tert-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-2-amine
CID 112924589
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948751
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-prop-2-enylpyrimidin-2-amine
CID 112907944
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)pyrimidin-2-amine
CID 112899597
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]prop-2-en-1-amine
CID 62573756
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891558
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-pentylpyrimidin-2-amine
CID 112920323
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80767534
6,7-dimethoxy-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2969305
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293
4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112922785

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine (CID 112907954) is 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nc(C)cc(N2CCc3cc(OC)c(OC)cc3C2)n1.
What is the InChIKey of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is ZRSIVUJGZHWJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-7-20-19-21-13(2)9-18(22-19)23-8-6-14-10-16(24-3)17(25-4)11-15(14)12-23/h5,9-11H,1,6-8,12H2,2-4H3,(H,20,21,22).
What are the key properties of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine?
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112907954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).