2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine

C18H18ClFN4 — CID 155146990

IUPAC2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cc1cccc(-n2c(C3CC3)c(F)c3cnc(Cl)nc32)n1
InChIInChI=1S/C18H18ClFN4/c1-10(2)8-12-4-3-5-14(22-12)24-16(11-6-7-11)15(20)13-9-21-18(19)23-17(13)24/h3-5,9-11H,6-8H2,1-2H3
InChIKeyVRKBQFOXGOOAFP-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.68
Rot. Bonds4

About 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine

2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 155146990) has the molecular formula C18H18ClFN4 and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine
PubChem CID155146990
Molecular FormulaC18H18ClFN4
Molecular Weight344.82 g/mol
Exact Mass344.12
IUPAC Name2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cc1cccc(-n2c(C3CC3)c(F)c3cnc(Cl)nc32)n1
InChIInChI=1S/C18H18ClFN4/c1-10(2)8-12-4-3-5-14(22-12)24-16(11-6-7-11)15(20)13-9-21-18(19)23-17(13)24/h3-5,9-11H,6-8H2,1-2H3
InChIKeyVRKBQFOXGOOAFP-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine (CID 155146990) is 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine is CC(C)Cc1cccc(-n2c(C3CC3)c(F)c3cnc(Cl)nc32)n1.
What is the InChIKey of 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is VRKBQFOXGOOAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4/c1-10(2)8-12-4-3-5-14(22-12)24-16(11-6-7-11)15(20)13-9-21-18(19)23-17(13)24/h3-5,9-11H,6-8H2,1-2H3.
What are the key properties of 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine?
2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 344.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155146990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).