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

C14H20F2N4 — CID 145440490

IUPAC7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C)nc2c1C(C)(C)CN2C1CC(F)(F)C1
InChIInChI=1S/C14H20F2N4/c1-8-18-11(17-4)10-12(19-8)20(7-13(10,2)3)9-5-14(15,16)6-9/h9H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyQOUQCUQXVHSQCZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.72
Rot. Bonds2

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

7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 145440490) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID145440490
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C)nc2c1C(C)(C)CN2C1CC(F)(F)C1
InChIInChI=1S/C14H20F2N4/c1-8-18-11(17-4)10-12(19-8)20(7-13(10,2)3)9-5-14(15,16)6-9/h9H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyQOUQCUQXVHSQCZ-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 145440490) is 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine is CNc1nc(C)nc2c1C(C)(C)CN2C1CC(F)(F)C1.
What is the InChIKey of 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QOUQCUQXVHSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-8-18-11(17-4)10-12(19-8)20(7-13(10,2)3)9-5-14(15,16)6-9/h9H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine?
7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 282.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluorocyclobutyl)-N,2,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145440490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).