4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine

C12H16ClN5 — CID 80856712

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H16ClN5/c1-5-14-12-15-7(2)6-10(16-12)18-9(4)11(13)8(3)17-18/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyDFFSFTBSRRTWPQ-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.67
Rot. Bonds3

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 80856712) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID80856712
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H16ClN5/c1-5-14-12-15-7(2)6-10(16-12)18-9(4)11(13)8(3)17-18/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyDFFSFTBSRRTWPQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine (CID 80856712) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is DFFSFTBSRRTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-5-14-12-15-7(2)6-10(16-12)18-9(4)11(13)8(3)17-18/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 265.75 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80856712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).