2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine

C9H10ClN3O — CID 68781752

IUPAC2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine
SMILESCC(Cl)Cc1nc(N)c2occc2n1
InChIInChI=1S/C9H10ClN3O/c1-5(10)4-7-12-6-2-3-14-8(6)9(11)13-7/h2-3,5H,4H2,1H3,(H2,11,12,13)
InChIKeyGIILZHXHUXFDJE-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine

2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 68781752) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine
PubChem CID68781752
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine
SMILESCC(Cl)Cc1nc(N)c2occc2n1
InChIInChI=1S/C9H10ClN3O/c1-5(10)4-7-12-6-2-3-14-8(6)9(11)13-7/h2-3,5H,4H2,1H3,(H2,11,12,13)
InChIKeyGIILZHXHUXFDJE-UHFFFAOYSA-N
XLogP1.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine (CID 68781752) is 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine is CC(Cl)Cc1nc(N)c2occc2n1.
What is the InChIKey of 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is GIILZHXHUXFDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-5(10)4-7-12-6-2-3-14-8(6)9(11)13-7/h2-3,5H,4H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine?
2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 211.65 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropyl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 68781752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).