5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine

C10H15ClN4O2S — CID 175758661

IUPAC5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C10H15ClN4O2S/c1-18(16,17)15-4-2-9(3-5-15)14-10-12-6-8(11)7-13-10/h6-7,9H,2-5H2,1H3,(H,12,13,14)
InChIKeyQESAKPSGTMFRFJ-UHFFFAOYSA-N
MW290.78 g/mol
LogP0.97
Rot. Bonds3

About 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine

5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 175758661) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID175758661
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C10H15ClN4O2S/c1-18(16,17)15-4-2-9(3-5-15)14-10-12-6-8(11)7-13-10/h6-7,9H,2-5H2,1H3,(H,12,13,14)
InChIKeyQESAKPSGTMFRFJ-UHFFFAOYSA-N
XLogP0.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine (CID 175758661) is 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine is CS(=O)(=O)N1CCC(Nc2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is QESAKPSGTMFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-18(16,17)15-4-2-9(3-5-15)14-10-12-6-8(11)7-13-10/h6-7,9H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 290.78 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 175758661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).