2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine

C18H19ClN4 — CID 177186493

IUPAC2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cc(-c2cc3cnc(Cl)nc3n2C2CCCCC2)ccn1
InChIInChI=1S/C18H19ClN4/c1-12-9-13(7-8-20-12)16-10-14-11-21-18(19)22-17(14)23(16)15-5-3-2-4-6-15/h7-11,15H,2-6H2,1H3
InChIKeyKACJSOVGSHUVOZ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.96
Rot. Bonds2

About 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine

2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 177186493) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
PubChem CID177186493
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cc(-c2cc3cnc(Cl)nc3n2C2CCCCC2)ccn1
InChIInChI=1S/C18H19ClN4/c1-12-9-13(7-8-20-12)16-10-14-11-21-18(19)22-17(14)23(16)15-5-3-2-4-6-15/h7-11,15H,2-6H2,1H3
InChIKeyKACJSOVGSHUVOZ-UHFFFAOYSA-N
XLogP4.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine (CID 177186493) is 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine is Cc1cc(-c2cc3cnc(Cl)nc3n2C2CCCCC2)ccn1.
What is the InChIKey of 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is KACJSOVGSHUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-12-9-13(7-8-20-12)16-10-14-11-21-18(19)22-17(14)23(16)15-5-3-2-4-6-15/h7-11,15H,2-6H2,1H3.
What are the key properties of 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine?
2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 326.83 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 177186493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).