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

C20H20N4O — CID 112894274

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(N3CCc4ccccc4C3)n2)c1
InChIInChI=1S/C20H20N4O/c1-25-18-8-4-7-17(13-18)22-20-21-11-9-19(23-20)24-12-10-15-5-2-3-6-16(15)14-24/h2-9,11,13H,10,12,14H2,1H3,(H,21,22,23)
InChIKeyFWXBOIVIDNVGLL-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.79
Rot. Bonds4

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 112894274) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID112894274
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(N3CCc4ccccc4C3)n2)c1
InChIInChI=1S/C20H20N4O/c1-25-18-8-4-7-17(13-18)22-20-21-11-9-19(23-20)24-12-10-15-5-2-3-6-16(15)14-24/h2-9,11,13H,10,12,14H2,1H3,(H,21,22,23)
InChIKeyFWXBOIVIDNVGLL-UHFFFAOYSA-N
XLogP3.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112899630
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112894310
N-(3,4-difluorophenyl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112899633
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112894308
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 112899619
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112894284
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1283419
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methoxyanilino)-4-pyridinyl]methanone
CID 109172363
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112920388
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894334

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CID 112894274) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(Nc2nccc(N3CCc4ccccc4C3)n2)c1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is FWXBOIVIDNVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-18-8-4-7-17(13-18)22-20-21-11-9-19(23-20)24-12-10-15-5-2-3-6-16(15)14-24/h2-9,11,13H,10,12,14H2,1H3,(H,21,22,23).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112894274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).