N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine

C20H23ClN4O3S2 — CID 4249830

IUPACN-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c12
InChIInChI=1S/C20H23ClN4O3S2/c1-12-6-8-25(9-7-12)30(26,27)18-13(2)29-20-17(18)19(22-11-23-20)24-15-10-14(21)4-5-16(15)28-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24)
InChIKeyIHJRMQXHNMDZCU-UHFFFAOYSA-N
MW467.02 g/mol
LogP4.83
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine

N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4249830) has the molecular formula C20H23ClN4O3S2 and a molecular weight of 467.02 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4249830
Molecular FormulaC20H23ClN4O3S2
Molecular Weight467.02 g/mol
Exact Mass466.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c12
InChIInChI=1S/C20H23ClN4O3S2/c1-12-6-8-25(9-7-12)30(26,27)18-13(2)29-20-17(18)19(22-11-23-20)24-15-10-14(21)4-5-16(15)28-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24)
InChIKeyIHJRMQXHNMDZCU-UHFFFAOYSA-N
XLogP4.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine (CID 4249830) is N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Cl)cc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IHJRMQXHNMDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S2/c1-12-6-8-25(9-7-12)30(26,27)18-13(2)29-20-17(18)19(22-11-23-20)24-15-10-14(21)4-5-16(15)28-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 467.02 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4249830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).