2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine

C23H20N2O — CID 174532474

IUPAC2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine
SMILESCOC1=CCc2c(ccc3c2C(c2ncccn2)Cc2ccccc2-3)C1
InChIInChI=1S/C23H20N2O/c1-26-17-8-10-19-16(13-17)7-9-20-18-6-3-2-5-15(18)14-21(22(19)20)23-24-11-4-12-25-23/h2-9,11-12,21H,10,13-14H2,1H3
InChIKeyUKPLTOVYACTIGI-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.46
Rot. Bonds2

About 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine

2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine (PubChem CID 174532474) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine
PubChem CID174532474
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine
SMILESCOC1=CCc2c(ccc3c2C(c2ncccn2)Cc2ccccc2-3)C1
InChIInChI=1S/C23H20N2O/c1-26-17-8-10-19-16(13-17)7-9-20-18-6-3-2-5-15(18)14-21(22(19)20)23-24-11-4-12-25-23/h2-9,11-12,21H,10,13-14H2,1H3
InChIKeyUKPLTOVYACTIGI-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine?
The IUPAC name of 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine (CID 174532474) is 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine.
What is the SMILES notation for 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine?
The canonical SMILES for 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine is COC1=CCc2c(ccc3c2C(c2ncccn2)Cc2ccccc2-3)C1.
What is the InChIKey of 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine?
The InChIKey is UKPLTOVYACTIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-26-17-8-10-19-16(13-17)7-9-20-18-6-3-2-5-15(18)14-21(22(19)20)23-24-11-4-12-25-23/h2-9,11-12,21H,10,13-14H2,1H3.
What are the key properties of 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine?
2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine has a molecular weight of 340.43 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-1,4,5,6-tetrahydrochrysen-5-yl)pyrimidine is sourced from PubChem (CID 174532474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).