6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine

C15H23ClN4O2S — CID 133348560

IUPAC6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2CCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H23ClN4O2S/c1-3-13-18-14(16)10(2)15(19-13)17-11-6-8-20(9-7-11)23(21,22)12-4-5-12/h11-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyAIDNGYUFINYVCA-UHFFFAOYSA-N
MW358.90 g/mol
LogP2.37
Rot. Bonds5

About 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 133348560) has the molecular formula C15H23ClN4O2S and a molecular weight of 358.90 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID133348560
Molecular FormulaC15H23ClN4O2S
Molecular Weight358.90 g/mol
Exact Mass358.12
IUPAC Name6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2CCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H23ClN4O2S/c1-3-13-18-14(16)10(2)15(19-13)17-11-6-8-20(9-7-11)23(21,22)12-4-5-12/h11-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyAIDNGYUFINYVCA-UHFFFAOYSA-N
XLogP2.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.90
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine (CID 133348560) is 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC2CCN(S(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is AIDNGYUFINYVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2S/c1-3-13-18-14(16)10(2)15(19-13)17-11-6-8-20(9-7-11)23(21,22)12-4-5-12/h11-12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 358.90 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 133348560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).