5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C10H13FN4 — CID 66798329

IUPAC5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(F)cn(C(C)C)c2n1
InChIInChI=1S/C10H13FN4/c1-5(2)15-4-7(11)8-9(12)13-6(3)14-10(8)15/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyMGJCPMZEELCQOE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.04
Rot. Bonds1

About 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 66798329) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID66798329
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(F)cn(C(C)C)c2n1
InChIInChI=1S/C10H13FN4/c1-5(2)15-4-7(11)8-9(12)13-6(3)14-10(8)15/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyMGJCPMZEELCQOE-UHFFFAOYSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 66798329) is 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(F)cn(C(C)C)c2n1.
What is the InChIKey of 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MGJCPMZEELCQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c1-5(2)15-4-7(11)8-9(12)13-6(3)14-10(8)15/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 208.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66798329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).