methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate

C13H14Cl2N4O2 — CID 56957676

IUPACmethyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCCN(CC)c1nc(Cl)nc2c(Cl)cc(C(=O)OC)nc12
InChIInChI=1S/C13H14Cl2N4O2/c1-4-19(5-2)11-10-9(17-13(15)18-11)7(14)6-8(16-10)12(20)21-3/h6H,4-5H2,1-3H3
InChIKeyYFULVUFLUYMUPV-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.96
Rot. Bonds4

About methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate

methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate (PubChem CID 56957676) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate
PubChem CID56957676
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Namemethyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCCN(CC)c1nc(Cl)nc2c(Cl)cc(C(=O)OC)nc12
InChIInChI=1S/C13H14Cl2N4O2/c1-4-19(5-2)11-10-9(17-13(15)18-11)7(14)6-8(16-10)12(20)21-3/h6H,4-5H2,1-3H3
InChIKeyYFULVUFLUYMUPV-UHFFFAOYSA-N
XLogP2.96
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate 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

methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
CID 134966576
methyl 2,8-dichloro-4-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidine-6-carboxylate
CID 56957679
methyl 4,5,8-trichloro-6-methylquinoline-2-carboxylate
CID 113445998
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888
methyl 4,6,7-trichloroquinoline-2-carboxylate
CID 34173870
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate
CID 125474672
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241

Frequently Asked Questions

What is the IUPAC name of methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate (CID 56957676) is methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate is CCN(CC)c1nc(Cl)nc2c(Cl)cc(C(=O)OC)nc12.
What is the InChIKey of methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is YFULVUFLUYMUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-4-19(5-2)11-10-9(17-13(15)18-11)7(14)6-8(16-10)12(20)21-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate?
methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 329.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 56957676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).