7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C10H11F3N4 — CID 22965287

IUPAC7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(C(F)(F)F)c2c(N)ncnc21
InChIInChI=1S/C10H11F3N4/c1-5(2)17-3-6(10(11,12)13)7-8(14)15-4-16-9(7)17/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyDJFUQSTXKJSRKJ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.61
Rot. Bonds1

About 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22965287) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22965287
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(C(F)(F)F)c2c(N)ncnc21
InChIInChI=1S/C10H11F3N4/c1-5(2)17-3-6(10(11,12)13)7-8(14)15-4-16-9(7)17/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyDJFUQSTXKJSRKJ-UHFFFAOYSA-N
XLogP2.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 22965287) is 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(C(F)(F)F)c2c(N)ncnc21.
What is the InChIKey of 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DJFUQSTXKJSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-5(2)17-3-6(10(11,12)13)7-8(14)15-4-16-9(7)17/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 244.22 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22965287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).