10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine

C19H16N2O3 — CID 154717438

IUPAC10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine
SMILESCOc1cc2c3ccccc3c3cncnc3c2c(OC)c1OC
InChIInChI=1S/C19H16N2O3/c1-22-15-8-13-11-6-4-5-7-12(11)14-9-20-10-21-17(14)16(13)19(24-3)18(15)23-2/h4-10H,1-3H3
InChIKeyBFTUPFOZZYSSGL-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.96
Rot. Bonds3

About 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine

10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine (PubChem CID 154717438) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Name10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine
PubChem CID154717438
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine
SMILESCOc1cc2c3ccccc3c3cncnc3c2c(OC)c1OC
InChIInChI=1S/C19H16N2O3/c1-22-15-8-13-11-6-4-5-7-12(11)14-9-20-10-21-17(14)16(13)19(24-3)18(15)23-2/h4-10H,1-3H3
InChIKeyBFTUPFOZZYSSGL-UHFFFAOYSA-N
XLogP3.96
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Biphenyl-2-ylethynyl-6,7-dimethoxy-quinazoline
CID 44442180
2-[2-Amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 4896012
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
2,4-Diamino-5-(5,6,7-trimethoxy-2-naphthylmethyl)pyrimidine hydrochloride
CID 23323052
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-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 168270264
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

Frequently Asked Questions

What is the IUPAC name of 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine?
The IUPAC name of 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine (CID 154717438) is 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine.
What is the SMILES notation for 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine?
The canonical SMILES for 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine is COc1cc2c3ccccc3c3cncnc3c2c(OC)c1OC.
What is the InChIKey of 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine?
The InChIKey is BFTUPFOZZYSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-22-15-8-13-11-6-4-5-7-12(11)14-9-20-10-21-17(14)16(13)19(24-3)18(15)23-2/h4-10H,1-3H3.
What are the key properties of 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine?
10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine has a molecular weight of 320.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,12-trimethoxyphenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 154717438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).