2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine

C15H18N4 — CID 59868746

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
SMILESCc1nc(N2CCc3ccccc3C2)nc(C)c1N
InChIInChI=1S/C15H18N4/c1-10-14(16)11(2)18-15(17-10)19-8-7-12-5-3-4-6-13(12)9-19/h3-6H,7-9,16H2,1-2H3
InChIKeyCPCHRVAFINZGOY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.24
Rot. Bonds1

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine (PubChem CID 59868746) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
PubChem CID59868746
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
SMILESCc1nc(N2CCc3ccccc3C2)nc(C)c1N
InChIInChI=1S/C15H18N4/c1-10-14(16)11(2)18-15(17-10)19-8-7-12-5-3-4-6-13(12)9-19/h3-6H,7-9,16H2,1-2H3
InChIKeyCPCHRVAFINZGOY-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 46507574
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-(2-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 18921802
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 112909262
4-(chloromethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
CID 28688828
2-[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 91972680
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80751354
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
CID 59868727
2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 114787324
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112909449
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine (CID 59868746) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine is Cc1nc(N2CCc3ccccc3C2)nc(C)c1N.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine?
The InChIKey is CPCHRVAFINZGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-14(16)11(2)18-15(17-10)19-8-7-12-5-3-4-6-13(12)9-19/h3-6H,7-9,16H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine has a molecular weight of 254.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine is sourced from PubChem (CID 59868746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).