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

Name: 6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₅N₃O — CID 151735718

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID	151735718
Molecular Formula	C₁₄H₁₅N₃O
Molecular Weight	241.29 g/mol
Exact Mass	241.12
IUPAC Name	6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
SMILES	COc1ccc2c(c1)CCN(c1ncccn1)C2
InChI	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
InChIKey	RLMBARXJJXIHMA-UHFFFAOYSA-N
XLogP	2.05
TPSA	38.25 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.29
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 151735718 — identifiers, structure, computed properties (public domain)

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