5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine

C14H14N2O2 — CID 141223084

IUPAC5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine
SMILESCOc1ncc(-c2cccc3c2CCCO3)cn1
InChIInChI=1S/C14H14N2O2/c1-17-14-15-8-10(9-16-14)11-4-2-6-13-12(11)5-3-7-18-13/h2,4,6,8-9H,3,5,7H2,1H3
InChIKeyCTFUQVGRHCKKJH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.48
Rot. Bonds2

About 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine

5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine (PubChem CID 141223084) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine
PubChem CID141223084
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine
SMILESCOc1ncc(-c2cccc3c2CCCO3)cn1
InChIInChI=1S/C14H14N2O2/c1-17-14-15-8-10(9-16-14)11-4-2-6-13-12(11)5-3-7-18-13/h2,4,6,8-9H,3,5,7H2,1H3
InChIKeyCTFUQVGRHCKKJH-UHFFFAOYSA-N
XLogP2.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine (CID 141223084) is 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine is COc1ncc(-c2cccc3c2CCCO3)cn1.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine?
The InChIKey is CTFUQVGRHCKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-14-15-8-10(9-16-14)11-4-2-6-13-12(11)5-3-7-18-13/h2,4,6,8-9H,3,5,7H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine?
5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine has a molecular weight of 242.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-5-yl)-2-methoxypyrimidine is sourced from PubChem (CID 141223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).