4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine

C9H10ClN5 — CID 23477640

IUPAC4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
SMILESCc1cc(C)n(-c2ncnc(Cl)c2N)n1
InChIInChI=1S/C9H10ClN5/c1-5-3-6(2)15(14-5)9-7(11)8(10)12-4-13-9/h3-4H,11H2,1-2H3
InChIKeyGOGDLWIDFPQRGW-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.51
Rot. Bonds1

About 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine

4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine (PubChem CID 23477640) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
PubChem CID23477640
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
SMILESCc1cc(C)n(-c2ncnc(Cl)c2N)n1
InChIInChI=1S/C9H10ClN5/c1-5-3-6(2)15(14-5)9-7(11)8(10)12-4-13-9/h3-4H,11H2,1-2H3
InChIKeyGOGDLWIDFPQRGW-UHFFFAOYSA-N
XLogP1.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine (CID 23477640) is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine is Cc1cc(C)n(-c2ncnc(Cl)c2N)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
The InChIKey is GOGDLWIDFPQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-3-6(2)15(14-5)9-7(11)8(10)12-4-13-9/h3-4H,11H2,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine has a molecular weight of 223.67 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 23477640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).