4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine

C15H18N4O2S — CID 3811929

IUPAC4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)11-13-10-14(19-8-2-3-9-19)18-15(17-13)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeySGDGSDPRWPCTHO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.68
Rot. Bonds4

About 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine

4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 3811929) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID3811929
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)11-13-10-14(19-8-2-3-9-19)18-15(17-13)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeySGDGSDPRWPCTHO-UHFFFAOYSA-N
XLogP1.68
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Methylpropane-2-sulfonyl)-2-(pyridin-2-yl)pyrimidin-4-amine
CID 2778673
5-(Isopropylsulfonyl)-2-(2-pyridyl)pyrimidin-4-amine
CID 2778653
4-(Methanesulfonylmethyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine
CID 1476707
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3851518
5-(Isopropylsulfonyl)-2-(3-pyridyl)pyrimidin-4-amine
CID 2778658
5-(Methylsulfonyl)-2-(3-pyridinyl)-4-pyrimidinamine
CID 1488239
N-Benzyl-6-((phenylsulfonyl)methyl)-2-(4-pyridinyl)-4-pyrimidinamine
CID 2769215
4-((Methylsulfinyl)methyl)-6-(phenylsulfanyl)-2-(4-pyridinyl)pyrimidine
CID 4601256
N-methyl-6-methylsulfonyl-2-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 71461281
4-Morpholin-4-yl-6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-yl-pyrimidine
CID 58137148
5-[2-[4-Ethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 53341485
5-[2-[4-(1,1-Dioxo-1,4-thiazinan-4-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 53341486

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine (CID 3811929) is 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine is CS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is SGDGSDPRWPCTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22(20,21)11-13-10-14(19-8-2-3-9-19)18-15(17-13)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 318.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 3811929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).