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

C18H15Cl2N5OS — CID 134373208

IUPAC5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(COc1ccn(-c2ccc(Cl)cc2)n1)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C18H15Cl2N5OS/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/h2-7,9-11H,8H2,1H3,(H,21,22,23)
InChIKeyCMRPHALERYOJFA-UHFFFAOYSA-N
MW420.33 g/mol
LogP5.06
Rot. Bonds6

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

5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 134373208) has the molecular formula C18H15Cl2N5OS and a molecular weight of 420.33 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.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID134373208
Molecular FormulaC18H15Cl2N5OS
Molecular Weight420.33 g/mol
Exact Mass419.04
IUPAC Name5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(COc1ccn(-c2ccc(Cl)cc2)n1)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C18H15Cl2N5OS/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/h2-7,9-11H,8H2,1H3,(H,21,22,23)
InChIKeyCMRPHALERYOJFA-UHFFFAOYSA-N
XLogP5.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.33
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71463148
2-[5-[(3S)-3-[[2-chloro-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-4-pyridinyl]amino]butoxy]-1-methylpyrazol-4-yl]pyrimidin-4-amine
CID 172284158
2-[5-[(3R)-3-[[2-chloro-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-4-pyridinyl]amino]butoxy]-1-methylpyrazol-4-yl]pyrimidin-4-amine
CID 172284169
1-[6-(1,3-Benzothiazol-2-ylmethoxy)-2-methylpyrimidin-4-yl]-5-[(2-chloro-4-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 56962667
5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 58629056
5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 58629102
5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155176709
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
2-[2-[4-[[(2S)-4-[4-(4-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]oxybutan-2-yl]amino]-6-chloro-3-pyridinyl]-1,3-thiazol-4-yl]propan-2-ol
CID 175547494
2-[2-[4-[4-[4-(4-Aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]oxybutan-2-ylamino]-6-chloro-3-pyridinyl]-1,3-thiazol-4-yl]propan-2-ol
CID 175547495

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?
The IUPAC name of 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 134373208) is 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
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?
The canonical SMILES for 5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine is CC(COc1ccn(-c2ccc(Cl)cc2)n1)Nc1ncnc2scc(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?
The InChIKey is CMRPHALERYOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5OS/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/h2-7,9-11H,8H2,1H3,(H,21,22,23).
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?
5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 420.33 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 134373208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).