5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H16N4 — CID 150586957

IUPAC5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)CCc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C11H16N4/c1-7(2)3-4-8-5-13-11-9(8)10(12)14-6-15-11/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyIPAYGXYWAPIQMY-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.13
Rot. Bonds3

About 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 150586957) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID150586957
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)CCc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C11H16N4/c1-7(2)3-4-8-5-13-11-9(8)10(12)14-6-15-11/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyIPAYGXYWAPIQMY-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 150586957) is 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)CCc1c[nH]c2ncnc(N)c12.
What is the InChIKey of 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IPAYGXYWAPIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)3-4-8-5-13-11-9(8)10(12)14-6-15-11/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 150586957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).