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

C22H24N4O — CID 112894334

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2ccnc(N3CCc4ccccc4C3)n2)c1
InChIInChI=1S/C22H24N4O/c1-27-20-8-4-5-17(15-20)9-12-23-21-10-13-24-22(25-21)26-14-11-18-6-2-3-7-19(18)16-26/h2-8,10,13,15H,9,11-12,14,16H2,1H3,(H,23,24,25)
InChIKeyHONYBEAIGADRKH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.70
Rot. Bonds6

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 112894334) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID112894334
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2ccnc(N3CCc4ccccc4C3)n2)c1
InChIInChI=1S/C22H24N4O/c1-27-20-8-4-5-17(15-20)9-12-23-21-10-13-24-22(25-21)26-14-11-18-6-2-3-7-19(18)16-26/h2-8,10,13,15H,9,11-12,14,16H2,1H3,(H,23,24,25)
InChIKeyHONYBEAIGADRKH-UHFFFAOYSA-N
XLogP3.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109307986
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanone
CID 109308091
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112883178
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
CID 117087438
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887463
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
CID 112954146
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 112894334) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1cccc(CCNc2ccnc(N3CCc4ccccc4C3)n2)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is HONYBEAIGADRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-20-8-4-5-17(15-20)9-12-23-21-10-13-24-22(25-21)26-14-11-18-6-2-3-7-19(18)16-26/h2-8,10,13,15H,9,11-12,14,16H2,1H3,(H,23,24,25).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 3.70, 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-(3-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 112894334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).