5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine

C8H7ClN4O — CID 154930590

IUPAC5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESClc1ccn2ncc(NC3CO3)c2n1
InChIInChI=1S/C8H7ClN4O/c9-6-1-2-13-8(12-6)5(3-10-13)11-7-4-14-7/h1-3,7,11H,4H2
InChIKeyRKOAHMHCTQVXFF-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.15
Rot. Bonds2

About 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine

5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 154930590) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID154930590
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESClc1ccn2ncc(NC3CO3)c2n1
InChIInChI=1S/C8H7ClN4O/c9-6-1-2-13-8(12-6)5(3-10-13)11-7-4-14-7/h1-3,7,11H,4H2
InChIKeyRKOAHMHCTQVXFF-UHFFFAOYSA-N
XLogP1.15
TPSA54.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine (CID 154930590) is 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine is Clc1ccn2ncc(NC3CO3)c2n1.
What is the InChIKey of 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is RKOAHMHCTQVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-6-1-2-13-8(12-6)5(3-10-13)11-7-4-14-7/h1-3,7,11H,4H2.
What are the key properties of 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 210.62 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxiran-2-yl)pyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 154930590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).