2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride

C8H10Cl2N4 — CID 19380156

IUPAC2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
SMILESCc1cc(C)n2nc(Cl)c(N)c2n1.Cl
InChIInChI=1S/C8H9ClN4.ClH/c1-4-3-5(2)13-8(11-4)6(10)7(9)12-13;/h3H,10H2,1-2H3;1H
InChIKeyWTIBWTNWMLAMNR-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.00
Rot. Bonds

About 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride

2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride (PubChem CID 19380156) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
PubChem CID19380156
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC Name2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
SMILESCc1cc(C)n2nc(Cl)c(N)c2n1.Cl
InChIInChI=1S/C8H9ClN4.ClH/c1-4-3-5(2)13-8(11-4)6(10)7(9)12-13;/h3H,10H2,1-2H3;1H
InChIKeyWTIBWTNWMLAMNR-UHFFFAOYSA-N
XLogP2.00
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The IUPAC name of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride (CID 19380156) is 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride.
What is the SMILES notation for 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The canonical SMILES for 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride is Cc1cc(C)n2nc(Cl)c(N)c2n1.Cl.
What is the InChIKey of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
The InChIKey is WTIBWTNWMLAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4.ClH/c1-4-3-5(2)13-8(11-4)6(10)7(9)12-13;/h3H,10H2,1-2H3;1H.
What are the key properties of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride?
2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride has a molecular weight of 233.10 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride is sourced from PubChem (CID 19380156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).