4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine

C10H14ClN3O2S — CID 175662618

IUPAC4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1nc(Cl)cc(C2CCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C10H14ClN3O2S/c1-7-12-9(5-10(11)13-7)8-3-4-14(6-8)17(2,15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyBHZFAONNZYIYCU-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.19
Rot. Bonds2

About 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine

4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine (PubChem CID 175662618) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
PubChem CID175662618
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1nc(Cl)cc(C2CCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C10H14ClN3O2S/c1-7-12-9(5-10(11)13-7)8-3-4-14(6-8)17(2,15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyBHZFAONNZYIYCU-UHFFFAOYSA-N
XLogP1.19
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1-methylsulfonylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 110254116
3-[2-methyl-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]benzoic acid
CID 125014260
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95820903
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
N-(2-methoxyethyl)-2-methyl-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95825107
2-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]benzoic acid
CID 155900548
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 110099178
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124986591
2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95844644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine (CID 175662618) is 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine is Cc1nc(Cl)cc(C2CCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
The InChIKey is BHZFAONNZYIYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-7-12-9(5-10(11)13-7)8-3-4-14(6-8)17(2,15)16/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine?
4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine has a molecular weight of 275.76 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 175662618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).