methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H18N4O3S — CID 23795952

IUPACmethyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(N)c2C1c1ccc(OC)cc1
InChIInChI=1S/C17H18N4O3S/c1-8-11(16(22)24-3)12(9-4-6-10(23-2)7-5-9)13-14(18)20-17(25)21-15(13)19-8/h4-7,12H,1-3H3,(H4,18,19,20,21,25)
InChIKeyISPNULTXJWYFAG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.73
Rot. Bonds3

About methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23795952) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23795952
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Namemethyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(N)c2C1c1ccc(OC)cc1
InChIInChI=1S/C17H18N4O3S/c1-8-11(16(22)24-3)12(9-4-6-10(23-2)7-5-9)13-14(18)20-17(25)21-15(13)19-8/h4-7,12H,1-3H3,(H4,18,19,20,21,25)
InChIKeyISPNULTXJWYFAG-UHFFFAOYSA-N
XLogP2.73
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-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

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 23795952) is methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nc(=S)[nH]c(N)c2C1c1ccc(OC)cc1.
What is the InChIKey of methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ISPNULTXJWYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-8-11(16(22)24-3)12(9-4-6-10(23-2)7-5-9)13-14(18)20-17(25)21-15(13)19-8/h4-7,12H,1-3H3,(H4,18,19,20,21,25).
What are the key properties of methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23795952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).