5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C11H13ClN4O — CID 134795356

IUPAC5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NC2CCOCC2)n2nccc2n1
InChIInChI=1S/C11H13ClN4O/c12-9-7-11(14-8-2-5-17-6-3-8)16-10(15-9)1-4-13-16/h1,4,7-8,14H,2-3,5-6H2
InChIKeyFUHCIHMVXVPRQN-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.97
Rot. Bonds2

About 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 134795356) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID134795356
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NC2CCOCC2)n2nccc2n1
InChIInChI=1S/C11H13ClN4O/c12-9-7-11(14-8-2-5-17-6-3-8)16-10(15-9)1-4-13-16/h1,4,7-8,14H,2-3,5-6H2
InChIKeyFUHCIHMVXVPRQN-UHFFFAOYSA-N
XLogP1.97
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 134795356) is 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NC2CCOCC2)n2nccc2n1.
What is the InChIKey of 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FUHCIHMVXVPRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-9-7-11(14-8-2-5-17-6-3-8)16-10(15-9)1-4-13-16/h1,4,7-8,14H,2-3,5-6H2.
What are the key properties of 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 252.70 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 134795356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).