2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine

C21H22N4O2 — CID 112894395

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCc4ccccc4C3)n2)c(OC)c1
InChIInChI=1S/C21H22N4O2/c1-26-17-7-8-18(19(13-17)27-2)23-20-9-11-22-21(24-20)25-12-10-15-5-3-4-6-16(15)14-25/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,23,24)
InChIKeyHONFTGPSEXXRPE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.80
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 112894395) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID112894395
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCc4ccccc4C3)n2)c(OC)c1
InChIInChI=1S/C21H22N4O2/c1-26-17-7-8-18(19(13-17)27-2)23-20-9-11-22-21(24-20)25-12-10-15-5-3-4-6-16(15)14-25/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,23,24)
InChIKeyHONFTGPSEXXRPE-UHFFFAOYSA-N
XLogP3.80
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894334
methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]benzoate
CID 112894402
N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147636008
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone
CID 109158459
1-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 25158236
N-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362921
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-amine
CID 112920523
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112883178
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1283419

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine (CID 112894395) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2ccnc(N3CCc4ccccc4C3)n2)c(OC)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is HONFTGPSEXXRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-26-17-7-8-18(19(13-17)27-2)23-20-9-11-22-21(24-20)25-12-10-15-5-3-4-6-16(15)14-25/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 362.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112894395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).