7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C15H24FN5 — CID 145440483

IUPAC7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC)c2c(n1)N(C1CC(C)(F)C1)CC2(C)C
InChIInChI=1S/C15H24FN5/c1-14(2)8-21(9-6-15(3,16)7-9)12-10(14)11(17-4)19-13(18-5)20-12/h9H,6-8H2,1-5H3,(H2,17,18,19,20)
InChIKeyLKGJHCJKWWJBHH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.55
Rot. Bonds3

About 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 145440483) has the molecular formula C15H24FN5 and a molecular weight of 293.39 g/mol. Its IUPAC name is 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID145440483
Molecular FormulaC15H24FN5
Molecular Weight293.39 g/mol
Exact Mass293.20
IUPAC Name7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC)c2c(n1)N(C1CC(C)(F)C1)CC2(C)C
InChIInChI=1S/C15H24FN5/c1-14(2)8-21(9-6-15(3,16)7-9)12-10(14)11(17-4)19-13(18-5)20-12/h9H,6-8H2,1-5H3,(H2,17,18,19,20)
InChIKeyLKGJHCJKWWJBHH-UHFFFAOYSA-N
XLogP2.55
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 145440483) is 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC)c2c(n1)N(C1CC(C)(F)C1)CC2(C)C.
What is the InChIKey of 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LKGJHCJKWWJBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5/c1-14(2)8-21(9-6-15(3,16)7-9)12-10(14)11(17-4)19-13(18-5)20-12/h9H,6-8H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 293.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-3-methylcyclobutyl)-2-N,4-N,5,5-tetramethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 145440483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).