7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

C13H16ClN3O — CID 82269869

IUPAC7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCOCC3)nn2c(Cl)c1C
InChIInChI=1S/C13H16ClN3O/c1-8-9(2)15-12-7-11(16-17(12)13(8)14)10-3-5-18-6-4-10/h7,10H,3-6H2,1-2H3
InChIKeyIMTHIHZDPQSQPA-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.89
Rot. Bonds1

About 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82269869) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID82269869
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCOCC3)nn2c(Cl)c1C
InChIInChI=1S/C13H16ClN3O/c1-8-9(2)15-12-7-11(16-17(12)13(8)14)10-3-5-18-6-4-10/h7,10H,3-6H2,1-2H3
InChIKeyIMTHIHZDPQSQPA-UHFFFAOYSA-N
XLogP2.89
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 142428707
CID 142428707
CID 146588721
CID 146588721
CID 146588722
CID 146588722
CID 146588878
CID 146588878
CID 146588949
CID 146588949
CID 82270017
CID 82270017
CID 82270020
CID 82270020
CID 104621576
CID 104621576
CID 104621607
CID 104621607
CID 104621643
CID 104621643
CID 105524896
CID 105524896
CID 105524897
CID 105524897

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (CID 82269869) is 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is Cc1nc2cc(C3CCOCC3)nn2c(Cl)c1C.
What is the InChIKey of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IMTHIHZDPQSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-9(2)15-12-7-11(16-17(12)13(8)14)10-3-5-18-6-4-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 265.74 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).