2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine

C12H16ClN5 — CID 114044050

IUPAC2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine
SMILESCCc1cc(CC)n(-c2nc(Cl)nc(C)c2N)n1
InChIInChI=1S/C12H16ClN5/c1-4-8-6-9(5-2)18(17-8)11-10(14)7(3)15-12(13)16-11/h6H,4-5,14H2,1-3H3
InChIKeyZPWPBKAUTBOUAZ-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine

2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine (PubChem CID 114044050) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine
PubChem CID114044050
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine
SMILESCCc1cc(CC)n(-c2nc(Cl)nc(C)c2N)n1
InChIInChI=1S/C12H16ClN5/c1-4-8-6-9(5-2)18(17-8)11-10(14)7(3)15-12(13)16-11/h6H,4-5,14H2,1-3H3
InChIKeyZPWPBKAUTBOUAZ-UHFFFAOYSA-N
XLogP2.33
TPSA69.62 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine (CID 114044050) is 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine is CCc1cc(CC)n(-c2nc(Cl)nc(C)c2N)n1.
What is the InChIKey of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine?
The InChIKey is ZPWPBKAUTBOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-8-6-9(5-2)18(17-8)11-10(14)7(3)15-12(13)16-11/h6H,4-5,14H2,1-3H3.
What are the key properties of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine?
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine has a molecular weight of 265.75 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 114044050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).