4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine

C9H10ClN5 — CID 80857762

IUPAC4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C9H10ClN5/c1-6-3-8(14-9(11-2)13-6)15-5-7(10)4-12-15/h3-5H,1-2H3,(H,11,13,14)
InChIKeyCRBOQPHEMZSSIF-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.67
Rot. Bonds2

About 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine

4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80857762) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID80857762
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C9H10ClN5/c1-6-3-8(14-9(11-2)13-6)15-5-7(10)4-12-15/h3-5H,1-2H3,(H,11,13,14)
InChIKeyCRBOQPHEMZSSIF-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine (CID 80857762) is 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is CRBOQPHEMZSSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-3-8(14-9(11-2)13-6)15-5-7(10)4-12-15/h3-5H,1-2H3,(H,11,13,14).
What are the key properties of 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine?
4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 223.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).