N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C24H26N4O2S — CID 42666263

IUPACN-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(S(=O)(=O)/C=C/c1ccccc1)CC2
InChIInChI=1S/C24H26N4O2S/c1-3-27(2)24-21-18-28(31(29,30)17-15-19-10-6-4-7-11-19)16-14-22(21)25-23(26-24)20-12-8-5-9-13-20/h4-13,15,17H,3,14,16,18H2,1-2H3/b17-15+
InChIKeyIXYGXUGFBQBUFZ-BMRADRMJSA-N
MW434.57 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 42666263) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID42666263
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(S(=O)(=O)/C=C/c1ccccc1)CC2
InChIInChI=1S/C24H26N4O2S/c1-3-27(2)24-21-18-28(31(29,30)17-15-19-10-6-4-7-11-19)16-14-22(21)25-23(26-24)20-12-8-5-9-13-20/h4-13,15,17H,3,14,16,18H2,1-2H3/b17-15+
InChIKeyIXYGXUGFBQBUFZ-BMRADRMJSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 42666263) is N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CCN(C)c1nc(-c2ccccc2)nc2c1CN(S(=O)(=O)/C=C/c1ccccc1)CC2.
What is the InChIKey of N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is IXYGXUGFBQBUFZ-BMRADRMJSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-3-27(2)24-21-18-28(31(29,30)17-15-19-10-6-4-7-11-19)16-14-22(21)25-23(26-24)20-12-8-5-9-13-20/h4-13,15,17H,3,14,16,18H2,1-2H3/b17-15+.
What are the key properties of N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 434.57 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 42666263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).