4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine

C8H5Cl2N3O — CID 170323984

IUPAC4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine
SMILESCOc1nc(Cl)cc2c(Cl)ncnc12
InChIInChI=1S/C8H5Cl2N3O/c1-14-8-6-4(2-5(9)13-8)7(10)12-3-11-6/h2-3H,1H3
InChIKeyTZSRFFFIIRSIDT-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.34
Rot. Bonds1

About 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine

4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine (PubChem CID 170323984) has the molecular formula C8H5Cl2N3O and a molecular weight of 230.05 g/mol. Its IUPAC name is 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine
PubChem CID170323984
Molecular FormulaC8H5Cl2N3O
Molecular Weight230.05 g/mol
Exact Mass228.98
IUPAC Name4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine
SMILESCOc1nc(Cl)cc2c(Cl)ncnc12
InChIInChI=1S/C8H5Cl2N3O/c1-14-8-6-4(2-5(9)13-8)7(10)12-3-11-6/h2-3H,1H3
InChIKeyTZSRFFFIIRSIDT-UHFFFAOYSA-N
XLogP2.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine (CID 170323984) is 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine is COc1nc(Cl)cc2c(Cl)ncnc12.
What is the InChIKey of 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine?
The InChIKey is TZSRFFFIIRSIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O/c1-14-8-6-4(2-5(9)13-8)7(10)12-3-11-6/h2-3H,1H3.
What are the key properties of 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine?
4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine has a molecular weight of 230.05 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine is sourced from PubChem (CID 170323984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).