5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C20H20N8O3S2 — CID 25254303

IUPAC5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)cc1
InChIInChI=1S/C20H20N8O3S2/c1-33(29,30)14-4-2-13(3-5-14)24-20-25-15-17(28-6-8-31-9-7-28)26-16(27-18(15)32-20)12-10-22-19(21)23-11-12/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeySXCBYWYHMBCUDQ-UHFFFAOYSA-N
MW484.57 g/mol
LogP2.11
Rot. Bonds5

About 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 25254303) has the molecular formula C20H20N8O3S2 and a molecular weight of 484.57 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID25254303
Molecular FormulaC20H20N8O3S2
Molecular Weight484.57 g/mol
Exact Mass484.11
IUPAC Name5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)cc1
InChIInChI=1S/C20H20N8O3S2/c1-33(29,30)14-4-2-13(3-5-14)24-20-25-15-17(28-6-8-31-9-7-28)26-16(27-18(15)32-20)12-10-22-19(21)23-11-12/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeySXCBYWYHMBCUDQ-UHFFFAOYSA-N
XLogP2.11
TPSA149.11 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
5-(4-morpholin-4-yl-6-propan-2-yloxypyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 53377951
5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 73057746
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-(6-cyclopropyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 58405017
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 25254303) is 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is CS(=O)(=O)c1ccc(Nc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)cc1.
What is the InChIKey of 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is SXCBYWYHMBCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O3S2/c1-33(29,30)14-4-2-13(3-5-14)24-20-25-15-17(28-6-8-31-9-7-28)26-16(27-18(15)32-20)12-10-22-19(21)23-11-12/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 484.57 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-5-yl)-N-(4-methylsulfonylphenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 25254303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).