4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride

C10H16ClN3O2S — CID 71638946

IUPAC4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
SMILESCc1ccnc(S(=O)(=O)CC2CCCN2)n1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-8-4-6-12-10(13-8)16(14,15)7-9-3-2-5-11-9;/h4,6,9,11H,2-3,5,7H2,1H3;1H
InChIKeyNNKZPOFSJBCMSO-UHFFFAOYSA-N
MW277.78 g/mol
LogP0.73
Rot. Bonds3

About 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride

4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride (PubChem CID 71638946) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
PubChem CID71638946
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
SMILESCc1ccnc(S(=O)(=O)CC2CCCN2)n1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-8-4-6-12-10(13-8)16(14,15)7-9-3-2-5-11-9;/h4,6,9,11H,2-3,5,7H2,1H3;1H
InChIKeyNNKZPOFSJBCMSO-UHFFFAOYSA-N
XLogP0.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
The IUPAC name of 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride (CID 71638946) is 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride is Cc1ccnc(S(=O)(=O)CC2CCCN2)n1.Cl.
What is the InChIKey of 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
The InChIKey is NNKZPOFSJBCMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S.ClH/c1-8-4-6-12-10(13-8)16(14,15)7-9-3-2-5-11-9;/h4,6,9,11H,2-3,5,7H2,1H3;1H.
What are the key properties of 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride is sourced from PubChem (CID 71638946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).