6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C15H17ClFN5S — CID 164865769

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@H](N)Cc1c(F)c2c(NCc3cccs3)nc(Cl)nc2n1C
InChIInChI=1S/C15H17ClFN5S/c1-8(18)6-10-12(17)11-13(19-7-9-4-3-5-23-9)20-15(16)21-14(11)22(10)2/h3-5,8H,6-7,18H2,1-2H3,(H,19,20,21)/t8-/m0/s1
InChIKeyCBZOAZFPLFOBFR-QMMMGPOBSA-N
MW353.85 g/mol
LogP3.32
Rot. Bonds5

About 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164865769) has the molecular formula C15H17ClFN5S and a molecular weight of 353.85 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164865769
Molecular FormulaC15H17ClFN5S
Molecular Weight353.85 g/mol
Exact Mass353.09
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@H](N)Cc1c(F)c2c(NCc3cccs3)nc(Cl)nc2n1C
InChIInChI=1S/C15H17ClFN5S/c1-8(18)6-10-12(17)11-13(19-7-9-4-3-5-23-9)20-15(16)21-14(11)22(10)2/h3-5,8H,6-7,18H2,1-2H3,(H,19,20,21)/t8-/m0/s1
InChIKeyCBZOAZFPLFOBFR-QMMMGPOBSA-N
XLogP3.32
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 24826354
9-[(1R)-1-phenylethyl]-2-thiophen-2-ylpyrimido[4,5-b]indol-4-amine
CID 10690537
5,6-Dimethyl-7-(1-phenyl-ethyl)-2-thiophen-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 10783950
2-N-(4-aminocyclohexyl)-6-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
CID 45483718
2-N-(4-aminocyclohexyl)-6-N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
CID 45483720
2-N-(4-aminocyclohexyl)-6-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
CID 45483749
7-(4-Aminocyclohexyl)-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 168290386
4-(2,3-difluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669299
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172472527
9-methyl-N-(2-phenylethyl)-8-thiophen-2-yl-6-(trifluoromethyl)purin-2-amine
CID 11603786
5-[(3-Fluorothiophen-2-yl)methyl]-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 18792905
N-[(1,3-dimethyl-6-thiophen-3-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 25217128

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 164865769) is 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is C[C@H](N)Cc1c(F)c2c(NCc3cccs3)nc(Cl)nc2n1C.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CBZOAZFPLFOBFR-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17ClFN5S/c1-8(18)6-10-12(17)11-13(19-7-9-4-3-5-23-9)20-15(16)21-14(11)22(10)2/h3-5,8H,6-7,18H2,1-2H3,(H,19,20,21)/t8-/m0/s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 353.85 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164865769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).