4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C20H24N4O3S — CID 42786772

IUPAC4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESCc1nc2c(c(N3CCOCC3)n1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2
InChIInChI=1S/C20H24N4O3S/c1-16-21-19-7-9-24(28(25,26)14-8-17-5-3-2-4-6-17)15-18(19)20(22-16)23-10-12-27-13-11-23/h2-6,8,14H,7,9-13,15H2,1H3/b14-8+
InChIKeyDYIONIOWEUJUBR-RIYZIHGNSA-N
MW400.50 g/mol
LogP1.98
Rot. Bonds4

About 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 42786772) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID42786772
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESCc1nc2c(c(N3CCOCC3)n1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2
InChIInChI=1S/C20H24N4O3S/c1-16-21-19-7-9-24(28(25,26)14-8-17-5-3-2-4-6-17)15-18(19)20(22-16)23-10-12-27-13-11-23/h2-6,8,14H,7,9-13,15H2,1H3/b14-8+
InChIKeyDYIONIOWEUJUBR-RIYZIHGNSA-N
XLogP1.98
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 42786772) is 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is Cc1nc2c(c(N3CCOCC3)n1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2.
What is the InChIKey of 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is DYIONIOWEUJUBR-RIYZIHGNSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-16-21-19-7-9-24(28(25,26)14-8-17-5-3-2-4-6-17)15-18(19)20(22-16)23-10-12-27-13-11-23/h2-6,8,14H,7,9-13,15H2,1H3/b14-8+.
What are the key properties of 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 400.50 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 42786772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).