1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine

C14H15ClN4 — CID 163387188

IUPAC1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc2c(n1)C(C)(C)CN2c1cc(Cl)ncn1
InChIInChI=1S/C14H15ClN4/c1-9-4-5-10-13(18-9)14(2,3)7-19(10)12-6-11(15)16-8-17-12/h4-6,8H,7H2,1-3H3
InChIKeyBYSJFDOTGWJAFD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.26
Rot. Bonds1

About 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine

1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine (PubChem CID 163387188) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine
PubChem CID163387188
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc2c(n1)C(C)(C)CN2c1cc(Cl)ncn1
InChIInChI=1S/C14H15ClN4/c1-9-4-5-10-13(18-9)14(2,3)7-19(10)12-6-11(15)16-8-17-12/h4-6,8H,7H2,1-3H3
InChIKeyBYSJFDOTGWJAFD-UHFFFAOYSA-N
XLogP3.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine (CID 163387188) is 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine is Cc1ccc2c(n1)C(C)(C)CN2c1cc(Cl)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is BYSJFDOTGWJAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-9-4-5-10-13(18-9)14(2,3)7-19(10)12-6-11(15)16-8-17-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine?
1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 274.75 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 163387188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).