7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C20H17Cl2N5S — CID 167461289

IUPAC7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1nccs1)cn2C1CCC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H17Cl2N5S/c21-13-5-12(6-14(22)8-13)11-1-2-15(7-11)27-9-16(20-24-3-4-28-20)17-18(23)25-10-26-19(17)27/h3-6,8-11,15H,1-2,7H2,(H2,23,25,26)
InChIKeyNROOQAHEIUPGKH-UHFFFAOYSA-N
MW430.36 g/mol
LogP5.95
Rot. Bonds3

About 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167461289) has the molecular formula C20H17Cl2N5S and a molecular weight of 430.36 g/mol. Its IUPAC name is 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167461289
Molecular FormulaC20H17Cl2N5S
Molecular Weight430.36 g/mol
Exact Mass429.06
IUPAC Name7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1nccs1)cn2C1CCC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H17Cl2N5S/c21-13-5-12(6-14(22)8-13)11-1-2-15(7-11)27-9-16(20-24-3-4-28-20)17-18(23)25-10-26-19(17)27/h3-6,8-11,15H,1-2,7H2,(H2,23,25,26)
InChIKeyNROOQAHEIUPGKH-UHFFFAOYSA-N
XLogP5.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]methyl]-N-[2-(4-fluorophenyl)ethyl]propane-1,3-diamine
CID 167460705
2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462002
2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 75292930
5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162364990
4-[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]benzaldehyde
CID 163239288
7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331158
1-[4-[4-amino-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 59633608
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167461204
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3,5-dichlorobenzenesulfinamide
CID 58089362
acetic acid;3-[4-amino-5-[4-[(5-chloro-7-methyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
CID 68800697
3-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 66676437

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 167461289) is 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1nccs1)cn2C1CCC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NROOQAHEIUPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5S/c21-13-5-12(6-14(22)8-13)11-1-2-15(7-11)27-9-16(20-24-3-4-28-20)17-18(23)25-10-26-19(17)27/h3-6,8-11,15H,1-2,7H2,(H2,23,25,26).
What are the key properties of 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 430.36 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,5-dichlorophenyl)cyclopentyl]-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167461289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).