4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine

C26H25FN4O3S — CID 91352267

IUPAC4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESC=C(c1ccc(F)cc1)c1ccc2nc(NCc3ccc(S(C)(=O)=O)cc3)nc(COCC)c2n1
InChIInChI=1S/C26H25FN4O3S/c1-4-34-16-24-25-23(14-13-22(29-25)17(2)19-7-9-20(27)10-8-19)30-26(31-24)28-15-18-5-11-21(12-6-18)35(3,32)33/h5-14H,2,4,15-16H2,1,3H3,(H,28,30,31)
InChIKeyWMHIPNFDRQCORD-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.78
Rot. Bonds9

About 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine

4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 91352267) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID91352267
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC Name4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESC=C(c1ccc(F)cc1)c1ccc2nc(NCc3ccc(S(C)(=O)=O)cc3)nc(COCC)c2n1
InChIInChI=1S/C26H25FN4O3S/c1-4-34-16-24-25-23(14-13-22(29-25)17(2)19-7-9-20(27)10-8-19)30-26(31-24)28-15-18-5-11-21(12-6-18)35(3,32)33/h5-14H,2,4,15-16H2,1,3H3,(H,28,30,31)
InChIKeyWMHIPNFDRQCORD-UHFFFAOYSA-N
XLogP4.78
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine 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 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 91352267) is 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is C=C(c1ccc(F)cc1)c1ccc2nc(NCc3ccc(S(C)(=O)=O)cc3)nc(COCC)c2n1.
What is the InChIKey of 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is WMHIPNFDRQCORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-4-34-16-24-25-23(14-13-22(29-25)17(2)19-7-9-20(27)10-8-19)30-26(31-24)28-15-18-5-11-21(12-6-18)35(3,32)33/h5-14H,2,4,15-16H2,1,3H3,(H,28,30,31).
What are the key properties of 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 492.58 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-6-[1-(4-fluorophenyl)ethenyl]-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 91352267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).