4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine

C13H16F2N4 — CID 166602226

IUPAC4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CCC(C(F)F)CC3)ncnc21
InChIInChI=1S/C13H16F2N4/c1-18-5-4-10-12(18)16-8-17-13(10)19-6-2-9(3-7-19)11(14)15/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyWUJZUGCFWQJQFX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds2

About 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine

4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 166602226) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID166602226
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CCC(C(F)F)CC3)ncnc21
InChIInChI=1S/C13H16F2N4/c1-18-5-4-10-12(18)16-8-17-13(10)19-6-2-9(3-7-19)11(14)15/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyWUJZUGCFWQJQFX-UHFFFAOYSA-N
XLogP2.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine (CID 166602226) is 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine is Cn1ccc2c(N3CCC(C(F)F)CC3)ncnc21.
What is the InChIKey of 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is WUJZUGCFWQJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-18-5-4-10-12(18)16-8-17-13(10)19-6-2-9(3-7-19)11(14)15/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 266.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 166602226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).