5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C22H21N3O3S2 — CID 26437418

IUPAC5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(N[C@H](C)c4ccc(S(C)(=O)=O)cc4)c23)cc1
InChIInChI=1S/C22H21N3O3S2/c1-14(15-6-10-18(11-7-15)30(3,26)27)25-21-20-19(12-29-22(20)24-13-23-21)16-4-8-17(28-2)9-5-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
InChIKeyIMKWVTWNBKNTJI-CQSZACIVSA-N
MW439.56 g/mol
LogP4.94
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 26437418) has the molecular formula C22H21N3O3S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID26437418
Molecular FormulaC22H21N3O3S2
Molecular Weight439.56 g/mol
Exact Mass439.10
IUPAC Name5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(N[C@H](C)c4ccc(S(C)(=O)=O)cc4)c23)cc1
InChIInChI=1S/C22H21N3O3S2/c1-14(15-6-10-18(11-7-15)30(3,26)27)25-21-20-19(12-29-22(20)24-13-23-21)16-4-8-17(28-2)9-5-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
InChIKeyIMKWVTWNBKNTJI-CQSZACIVSA-N
XLogP4.94
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 26437418) is 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(N[C@H](C)c4ccc(S(C)(=O)=O)cc4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IMKWVTWNBKNTJI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N3O3S2/c1-14(15-6-10-18(11-7-15)30(3,26)27)25-21-20-19(12-29-22(20)24-13-23-21)16-4-8-17(28-2)9-5-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 439.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 26437418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).