5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C26H30N8O3S2 — CID 140531026

IUPAC5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCOCC2)cc(S(=O)(=O)N2CCN(C)CC2)c1-c1csc2cnc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C26H30N8O3S2/c1-17-11-19(33-7-9-37-10-8-33)12-22(39(35,36)34-5-3-32(2)4-6-34)23(17)20-16-38-21-15-28-25(31-24(20)21)18-13-29-26(27)30-14-18/h11-16H,3-10H2,1-2H3,(H2,27,29,30)
InChIKeyWSWUOWCBWRXTQY-UHFFFAOYSA-N
MW566.71 g/mol
LogP2.48
Rot. Bonds5

About 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 140531026) has the molecular formula C26H30N8O3S2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID140531026
Molecular FormulaC26H30N8O3S2
Molecular Weight566.71 g/mol
Exact Mass566.19
IUPAC Name5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCOCC2)cc(S(=O)(=O)N2CCN(C)CC2)c1-c1csc2cnc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C26H30N8O3S2/c1-17-11-19(33-7-9-37-10-8-33)12-22(39(35,36)34-5-3-32(2)4-6-34)23(17)20-16-38-21-15-28-25(31-24(20)21)18-13-29-26(27)30-14-18/h11-16H,3-10H2,1-2H3,(H2,27,29,30)
InChIKeyWSWUOWCBWRXTQY-UHFFFAOYSA-N
XLogP2.48
TPSA130.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 59829431
5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline
CID 58228898
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
5-[4-morpholin-4-yl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234082
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
N-[3-[2-[[3-methyl-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]prop-2-enamide
CID 58407985
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 118213798
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-[3-(1-tert-butylazetidin-3-yl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 175086964

Frequently Asked Questions

What is the IUPAC name of 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 140531026) is 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Cc1cc(N2CCOCC2)cc(S(=O)(=O)N2CCN(C)CC2)c1-c1csc2cnc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is WSWUOWCBWRXTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S2/c1-17-11-19(33-7-9-37-10-8-33)12-22(39(35,36)34-5-3-32(2)4-6-34)23(17)20-16-38-21-15-28-25(31-24(20)21)18-13-29-26(27)30-14-18/h11-16H,3-10H2,1-2H3,(H2,27,29,30).
What are the key properties of 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 566.71 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 140531026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).