6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine

C23H26N4O2 — CID 112858927

IUPAC6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3C)ncn1)CC2
InChIInChI=1S/C23H26N4O2/c1-16-6-4-5-7-18(16)13-24-22-12-23(26-15-25-22)27-9-8-17-10-20(28-2)21(29-3)11-19(17)14-27/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,24,25,26)
InChIKeyYZUOTYGJFXMFKS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.98
Rot. Bonds6

About 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 112858927) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID112858927
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3C)ncn1)CC2
InChIInChI=1S/C23H26N4O2/c1-16-6-4-5-7-18(16)13-24-22-12-23(26-15-25-22)27-9-8-17-10-20(28-2)21(29-3)11-19(17)14-27/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,24,25,26)
InChIKeyYZUOTYGJFXMFKS-UHFFFAOYSA-N
XLogP3.98
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112860750
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-(2,6-difluorophenyl)-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863744
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112949741
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (CID 112858927) is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3C)ncn1)CC2.
What is the InChIKey of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is YZUOTYGJFXMFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-6-4-5-7-18(16)13-24-22-12-23(26-15-25-22)27-9-8-17-10-20(28-2)21(29-3)11-19(17)14-27/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 112858927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).