2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol

C20H22N2O3 — CID 19076962

IUPAC2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol
SMILESCCCCOCCOc1ccc2cc(-c3ncc(O)cn3)ccc2c1
InChIInChI=1S/C20H22N2O3/c1-2-3-8-24-9-10-25-19-7-6-15-11-17(5-4-16(15)12-19)20-21-13-18(23)14-22-20/h4-7,11-14,23H,2-3,8-10H2,1H3
InChIKeyMTRMCMZXPFDWHO-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.20
Rot. Bonds8

About 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol

2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol (PubChem CID 19076962) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol
PubChem CID19076962
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol
SMILESCCCCOCCOc1ccc2cc(-c3ncc(O)cn3)ccc2c1
InChIInChI=1S/C20H22N2O3/c1-2-3-8-24-9-10-25-19-7-6-15-11-17(5-4-16(15)12-19)20-21-13-18(23)14-22-20/h4-7,11-14,23H,2-3,8-10H2,1H3
InChIKeyMTRMCMZXPFDWHO-UHFFFAOYSA-N
XLogP4.20
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(6-decoxynaphthalen-2-yl)pyrimidine
CID 139665367
2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
CID 139654815
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
5-(4-butoxybutoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 54363602
2-[4-(4-butoxybutoxy)phenyl]-5-[2-[4-(4-butoxybutoxy)phenyl]pyrimidin-5-yl]oxypyrimidine
CID 57101450
5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 19891615
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
CID 137234830
5-decyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine;5-nonyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 161112053
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol?
The IUPAC name of 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol (CID 19076962) is 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol.
What is the SMILES notation for 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol?
The canonical SMILES for 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol is CCCCOCCOc1ccc2cc(-c3ncc(O)cn3)ccc2c1.
What is the InChIKey of 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol?
The InChIKey is MTRMCMZXPFDWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-3-8-24-9-10-25-19-7-6-15-11-17(5-4-16(15)12-19)20-21-13-18(23)14-22-20/h4-7,11-14,23H,2-3,8-10H2,1H3.
What are the key properties of 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol?
2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol has a molecular weight of 338.41 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-butoxyethoxy)naphthalen-2-yl]pyrimidin-5-ol is sourced from PubChem (CID 19076962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).