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

C15H17ClFN5S — CID 175574664

IUPAC6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(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)
InChIKeyCBZOAZFPLFOBFR-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.32
Rot. Bonds5

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

6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175574664) has the molecular formula C15H17ClFN5S and a molecular weight of 353.85 g/mol. Its IUPAC name is 6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175574664
Molecular FormulaC15H17ClFN5S
Molecular Weight353.85 g/mol
Exact Mass353.09
IUPAC Name6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(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)
InChIKeyCBZOAZFPLFOBFR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 175574664) is 6-(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-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(N)Cc1c(F)c2c(NCc3cccs3)nc(Cl)nc2n1C.
What is the InChIKey of 6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CBZOAZFPLFOBFR-UHFFFAOYSA-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).
What are the key properties of 6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-(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-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175574664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).