2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H13F3N4O — CID 146171800

IUPAC2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCOc1nc(N)c2cc(C(F)(F)F)[nH]c2n1
InChIInChI=1S/C11H13F3N4O/c1-2-3-4-19-10-17-8(15)6-5-7(11(12,13)14)16-9(6)18-10/h5H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyFAKBUTBLHUIHEN-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.74
Rot. Bonds4

About 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146171800) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146171800
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCOc1nc(N)c2cc(C(F)(F)F)[nH]c2n1
InChIInChI=1S/C11H13F3N4O/c1-2-3-4-19-10-17-8(15)6-5-7(11(12,13)14)16-9(6)18-10/h5H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyFAKBUTBLHUIHEN-UHFFFAOYSA-N
XLogP2.74
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146171800) is 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCOc1nc(N)c2cc(C(F)(F)F)[nH]c2n1.
What is the InChIKey of 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FAKBUTBLHUIHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-2-3-4-19-10-17-8(15)6-5-7(11(12,13)14)16-9(6)18-10/h5H,2-4H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146171800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).