3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C20H26N4O — CID 91762907

IUPAC3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCN2CCc3ccccc3C2)cc(C2CC(O)C2)n1
InChIInChI=1S/C20H26N4O/c1-14-22-19(17-10-18(25)11-17)12-20(23-14)21-7-9-24-8-6-15-4-2-3-5-16(15)13-24/h2-5,12,17-18,25H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyMCZAMJCCKXYDGX-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.49
Rot. Bonds5

About 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91762907) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91762907
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCN2CCc3ccccc3C2)cc(C2CC(O)C2)n1
InChIInChI=1S/C20H26N4O/c1-14-22-19(17-10-18(25)11-17)12-20(23-14)21-7-9-24-8-6-15-4-2-3-5-16(15)13-24/h2-5,12,17-18,25H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyMCZAMJCCKXYDGX-UHFFFAOYSA-N
XLogP2.49
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol with MolForge

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Related Compounds

1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
CID 91762966
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
CID 91790847
3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91793673
2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 126450304
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91773337
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902254
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870536
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91762907) is 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCN2CCc3ccccc3C2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MCZAMJCCKXYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-22-19(17-10-18(25)11-17)12-20(23-14)21-7-9-24-8-6-15-4-2-3-5-16(15)13-24/h2-5,12,17-18,25H,6-11,13H2,1H3,(H,21,22,23).
What are the key properties of 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 338.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91762907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).