6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline

C14H15N3O — CID 151735718

IUPAC6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ncccn1)C2
InChIInChI=1S/C14H15N3O/c1-18-13-4-3-12-10-17(8-5-11(12)9-13)14-15-6-2-7-16-14/h2-4,6-7,9H,5,8,10H2,1H3
InChIKeyRLMBARXJJXIHMA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.05
Rot. Bonds2

About 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline

6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 151735718) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID151735718
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ncccn1)C2
InChIInChI=1S/C14H15N3O/c1-18-13-4-3-12-10-17(8-5-11(12)9-13)14-15-6-2-7-16-14/h2-4,6-7,9H,5,8,10H2,1H3
InChIKeyRLMBARXJJXIHMA-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 118447852
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147636008
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 69473036
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-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394769
7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline (CID 151735718) is 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ncccn1)C2.
What is the InChIKey of 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RLMBARXJJXIHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13-4-3-12-10-17(8-5-11(12)9-13)14-15-6-2-7-16-14/h2-4,6-7,9H,5,8,10H2,1H3.
What are the key properties of 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 241.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 151735718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).