2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine

C23H26N4O — CID 117087438

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(N3CCc4ccccc4C3)ncc2C)cc1
InChIInChI=1S/C23H26N4O/c1-17-15-25-23(27-14-12-19-5-3-4-6-20(19)16-27)26-22(17)24-13-11-18-7-9-21(28-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26)
InChIKeyKUMJOSRWBGQDLM-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.01
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 117087438) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
PubChem CID117087438
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(N3CCc4ccccc4C3)ncc2C)cc1
InChIInChI=1S/C23H26N4O/c1-17-15-25-23(27-14-12-19-5-3-4-6-20(19)16-27)26-22(17)24-13-11-18-7-9-21(28-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26)
InChIKeyKUMJOSRWBGQDLM-UHFFFAOYSA-N
XLogP4.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 117083517
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109307986
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894334
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109191966
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 16890214
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872901
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951171
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 117090815
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1283419
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine (CID 117087438) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine is COc1ccc(CCNc2nc(N3CCc4ccccc4C3)ncc2C)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is KUMJOSRWBGQDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-15-25-23(27-14-12-19-5-3-4-6-20(19)16-27)26-22(17)24-13-11-18-7-9-21(28-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 117087438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).