6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine

C20H18N2O4 — CID 15852702

IUPAC6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine
SMILESCOc1cc2c(cc1OC)c1cncnc1c1cc(OC)c(OC)cc21
InChIInChI=1S/C20H18N2O4/c1-23-16-5-11-12-6-17(24-2)19(26-4)8-14(12)20-15(9-21-10-22-20)13(11)7-18(16)25-3/h5-10H,1-4H3
InChIKeyNKUVJOCPHOMCFF-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.97
Rot. Bonds4

About 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine

6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine (PubChem CID 15852702) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Name6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine
PubChem CID15852702
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine
SMILESCOc1cc2c(cc1OC)c1cncnc1c1cc(OC)c(OC)cc21
InChIInChI=1S/C20H18N2O4/c1-23-16-5-11-12-6-17(24-2)19(26-4)8-14(12)20-15(9-21-10-22-20)13(11)7-18(16)25-3/h5-10H,1-4H3
InChIKeyNKUVJOCPHOMCFF-UHFFFAOYSA-N
XLogP3.97
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine?
The IUPAC name of 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine (CID 15852702) is 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine.
What is the SMILES notation for 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine?
The canonical SMILES for 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine is COc1cc2c(cc1OC)c1cncnc1c1cc(OC)c(OC)cc21.
What is the InChIKey of 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine?
The InChIKey is NKUVJOCPHOMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-23-16-5-11-12-6-17(24-2)19(26-4)8-14(12)20-15(9-21-10-22-20)13(11)7-18(16)25-3/h5-10H,1-4H3.
What are the key properties of 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine?
6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine has a molecular weight of 350.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10,11-tetramethoxyphenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 15852702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).