2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H17ClF2N4 — CID 134185071

IUPAC2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1C(C)(C)CN2C1CC(F)(F)C1
InChIInChI=1S/C13H17ClF2N4/c1-12(2)6-20(7-4-13(15,16)5-7)10-8(12)9(17-3)18-11(14)19-10/h7H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyDRJJIKOAQZOHEP-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134185071) has the molecular formula C13H17ClF2N4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134185071
Molecular FormulaC13H17ClF2N4
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1C(C)(C)CN2C1CC(F)(F)C1
InChIInChI=1S/C13H17ClF2N4/c1-12(2)6-20(7-4-13(15,16)5-7)10-8(12)9(17-3)18-11(14)19-10/h7H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyDRJJIKOAQZOHEP-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine 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 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134185071) is 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1C(C)(C)CN2C1CC(F)(F)C1.
What is the InChIKey of 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DRJJIKOAQZOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N4/c1-12(2)6-20(7-4-13(15,16)5-7)10-8(12)9(17-3)18-11(14)19-10/h7H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 302.76 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(3,3-difluorocyclobutyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134185071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).