N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline

C18H24N4OS — CID 156835024

IUPACN,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline
SMILESCNc1cc(C)c(Oc2nc(SC)nc3c2CN(C)CC3)c(C)c1
InChIInChI=1S/C18H24N4OS/c1-11-8-13(19-3)9-12(2)16(11)23-17-14-10-22(4)7-6-15(14)20-18(21-17)24-5/h8-9,19H,6-7,10H2,1-5H3
InChIKeyZCFKOMNVIHDKEU-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.64
Rot. Bonds4

About N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline

N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline (PubChem CID 156835024) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline
PubChem CID156835024
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline
SMILESCNc1cc(C)c(Oc2nc(SC)nc3c2CN(C)CC3)c(C)c1
InChIInChI=1S/C18H24N4OS/c1-11-8-13(19-3)9-12(2)16(11)23-17-14-10-22(4)7-6-15(14)20-18(21-17)24-5/h8-9,19H,6-7,10H2,1-5H3
InChIKeyZCFKOMNVIHDKEU-UHFFFAOYSA-N
XLogP3.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline?
The IUPAC name of N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline (CID 156835024) is N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline.
What is the SMILES notation for N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline?
The canonical SMILES for N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline is CNc1cc(C)c(Oc2nc(SC)nc3c2CN(C)CC3)c(C)c1.
What is the InChIKey of N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline?
The InChIKey is ZCFKOMNVIHDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-11-8-13(19-3)9-12(2)16(11)23-17-14-10-22(4)7-6-15(14)20-18(21-17)24-5/h8-9,19H,6-7,10H2,1-5H3.
What are the key properties of N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline?
N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline has a molecular weight of 344.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-[(6-methyl-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]aniline is sourced from PubChem (CID 156835024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).