4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C10H14N4O — CID 14018647

IUPAC4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCCOc1nc(N)nc2[nH]ccc12
InChIInChI=1S/C10H14N4O/c1-2-3-6-15-9-7-4-5-12-8(7)13-10(11)14-9/h4-5H,2-3,6H2,1H3,(H3,11,12,13,14)
InChIKeyZZVSHIZWLQFAGN-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.72
Rot. Bonds4

About 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 14018647) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID14018647
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCCOc1nc(N)nc2[nH]ccc12
InChIInChI=1S/C10H14N4O/c1-2-3-6-15-9-7-4-5-12-8(7)13-10(11)14-9/h4-5H,2-3,6H2,1H3,(H3,11,12,13,14)
InChIKeyZZVSHIZWLQFAGN-UHFFFAOYSA-N
XLogP1.72
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.72
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 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 14018647) is 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCCCOc1nc(N)nc2[nH]ccc12.
What is the InChIKey of 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZZVSHIZWLQFAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-3-6-15-9-7-4-5-12-8(7)13-10(11)14-9/h4-5H,2-3,6H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 206.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 14018647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).