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

C9H10ClN5 — CID 2057499

IUPAC2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(N)nc(Cl)n2)n1
InChIInChI=1S/C9H10ClN5/c1-5-3-6(2)15(14-5)8-4-7(11)12-9(10)13-8/h3-4H,1-2H3,(H2,11,12,13)
InChIKeySZLGIMFZDUTLIP-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.51
Rot. Bonds1

About 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 2057499) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID2057499
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(N)nc(Cl)n2)n1
InChIInChI=1S/C9H10ClN5/c1-5-3-6(2)15(14-5)8-4-7(11)12-9(10)13-8/h3-4H,1-2H3,(H2,11,12,13)
InChIKeySZLGIMFZDUTLIP-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 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 2057499) is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(N)nc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is SZLGIMFZDUTLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-3-6(2)15(14-5)8-4-7(11)12-9(10)13-8/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-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 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 2057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).