6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C21H23N5O2 — CID 112860750

IUPAC6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cc2c(cc1OC)CN(c1cc(NCc3cccnc3)ncn1)CC2
InChIInChI=1S/C21H23N5O2/c1-27-18-8-16-5-7-26(13-17(16)9-19(18)28-2)21-10-20(24-14-25-21)23-12-15-4-3-6-22-11-15/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H,23,24,25)
InChIKeyHESOSKMDOMWCEE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.06
Rot. Bonds6

About 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 112860750) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID112860750
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cc2c(cc1OC)CN(c1cc(NCc3cccnc3)ncn1)CC2
InChIInChI=1S/C21H23N5O2/c1-27-18-8-16-5-7-26(13-17(16)9-19(18)28-2)21-10-20(24-14-25-21)23-12-15-4-3-6-22-11-15/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H,23,24,25)
InChIKeyHESOSKMDOMWCEE-UHFFFAOYSA-N
XLogP3.06
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858927
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
N-(2,6-difluorophenyl)-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863744
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 75490504
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891558
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948751

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 112860750) is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is COc1cc2c(cc1OC)CN(c1cc(NCc3cccnc3)ncn1)CC2.
What is the InChIKey of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is HESOSKMDOMWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-27-18-8-16-5-7-26(13-17(16)9-19(18)28-2)21-10-20(24-14-25-21)23-12-15-4-3-6-22-11-15/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 377.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112860750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).