6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine

C21H20N2O5 — CID 15852704

IUPAC6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine
SMILESCOc1cc2c(cc1OC)c1cc(OC)c(OC)c(OC)c1c1ncncc21
InChIInChI=1S/C21H20N2O5/c1-24-15-6-11-12(7-16(15)25-2)14-9-22-10-23-19(14)18-13(11)8-17(26-3)20(27-4)21(18)28-5/h6-10H,1-5H3
InChIKeyQLMPEZKPCARZDZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.98
Rot. Bonds5

About 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine

6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine (PubChem CID 15852704) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Name6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine
PubChem CID15852704
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine
SMILESCOc1cc2c(cc1OC)c1cc(OC)c(OC)c(OC)c1c1ncncc21
InChIInChI=1S/C21H20N2O5/c1-24-15-6-11-12(7-16(15)25-2)14-9-22-10-23-19(14)18-13(11)8-17(26-3)20(27-4)21(18)28-5/h6-10H,1-5H3
InChIKeyQLMPEZKPCARZDZ-UHFFFAOYSA-N
XLogP3.98
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl)-5-methoxyphenol
CID 4971528
5,17,18,19-Tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine
CID 162660956
6-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 3232610
4-(3,4-Dimethoxyphenyl)-6-quinolin-3-ylquinazoline
CID 25057242
6-[2-(4-Cyanoanilino)pyrimidin-4-yl]oxy-5,7-dimethoxy-naphthalene-2-carbonitrile
CID 44814440
5-(3-Fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 168282987
5-[4-Ethoxy-3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 168296810
Sanguilutine
CID 356660
6-Methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 67606974
N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232936
2-[2-Amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-5-ethoxy-4-ethylphenol
CID 135656434
5-Methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazolin-2-amine
CID 168295934

Frequently Asked Questions

What is the IUPAC name of 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine?
The IUPAC name of 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine (CID 15852704) is 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine.
What is the SMILES notation for 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine?
The canonical SMILES for 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine is COc1cc2c(cc1OC)c1cc(OC)c(OC)c(OC)c1c1ncncc21.
What is the InChIKey of 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine?
The InChIKey is QLMPEZKPCARZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-24-15-6-11-12(7-16(15)25-2)14-9-22-10-23-19(14)18-13(11)8-17(26-3)20(27-4)21(18)28-5/h6-10H,1-5H3.
What are the key properties of 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine?
6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine has a molecular weight of 380.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10,11,12-pentamethoxyphenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 15852704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).