5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine

C36H31Cl5N10O2S2 — CID 160921994

IUPAC5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine
SMILESCC(COc1ccn(-c2ccc(Cl)cc2)n1)Nc1ncnc2scc(Cl)c12.CC(N)COc1ccn(-c2ccc(Cl)cc2)n1.Clc1csc2ncnc(Cl)c12
InChIInChI=1S/C18H15Cl2N5OS.C12H14ClN3O.C6H2Cl2N2S/c1-11(23-17-16-14(20)9-27-18(16)22-10-21-17)8-26-15-6-7-25(24-15)13-4-2-12(19)3-5-13;1-9(14)8-17-12-6-7-16(15-12)11-4-2-10(13)3-5-11;7-3-1-11-6-4(3)5(8)9-2-10-6/h2-7,9-11H,8H2,1H3,(H,21,22,23);2-7,9H,8,14H2,1H3;1-2H
InChIKeySSDQVSBNUYGMMH-UHFFFAOYSA-N
MW877.11 g/mol
LogP10.31
Rot. Bonds10

About 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine

5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine (PubChem CID 160921994) has the molecular formula C36H31Cl5N10O2S2 and a molecular weight of 877.11 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine
PubChem CID160921994
Molecular FormulaC36H31Cl5N10O2S2
Molecular Weight877.11 g/mol
Exact Mass874.05
IUPAC Name5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine
SMILESCC(COc1ccn(-c2ccc(Cl)cc2)n1)Nc1ncnc2scc(Cl)c12.CC(N)COc1ccn(-c2ccc(Cl)cc2)n1.Clc1csc2ncnc(Cl)c12
InChIInChI=1S/C18H15Cl2N5OS.C12H14ClN3O.C6H2Cl2N2S/c1-11(23-17-16-14(20)9-27-18(16)22-10-21-17)8-26-15-6-7-25(24-15)13-4-2-12(19)3-5-13;1-9(14)8-17-12-6-7-16(15-12)11-4-2-10(13)3-5-11;7-3-1-11-6-4(3)5(8)9-2-10-6/h2-7,9-11H,8H2,1H3,(H,21,22,23);2-7,9H,8,14H2,1H3;1-2H
InChIKeySSDQVSBNUYGMMH-UHFFFAOYSA-N
XLogP10.31
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.11
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine with MolForge

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Related Compounds

5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 134373208
[4-[3-(2-Aminoethoxy)-1,4-dimethylpyrazol-5-yl]phenyl]methanol;[4-[3-[2-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]-1,4-dimethylpyrazol-5-yl]phenyl]methanol;4,5-dichlorothieno[2,3-d]pyrimidine;hydrochloride
CID 161187850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine (CID 160921994) is 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine is CC(COc1ccn(-c2ccc(Cl)cc2)n1)Nc1ncnc2scc(Cl)c12.CC(N)COc1ccn(-c2ccc(Cl)cc2)n1.Clc1csc2ncnc(Cl)c12.
What is the InChIKey of 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine?
The InChIKey is SSDQVSBNUYGMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5OS.C12H14ClN3O.C6H2Cl2N2S/c1-11(23-17-16-14(20)9-27-18(16)22-10-21-17)8-26-15-6-7-25(24-15)13-4-2-12(19)3-5-13;1-9(14)8-17-12-6-7-16(15-12)11-4-2-10(13)3-5-11;7-3-1-11-6-4(3)5(8)9-2-10-6/h2-7,9-11H,8H2,1H3,(H,21,22,23);2-7,9H,8,14H2,1H3;1-2H.
What are the key properties of 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine?
5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine has a molecular weight of 877.11 g/mol, XLogP of 10.31, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine;1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-amine;4,5-dichlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 160921994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).