(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol

C7H10N2O3S — CID 84721428

IUPAC(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
SMILESCc1nc(S(C)(=O)=O)ncc1CO
InChIInChI=1S/C7H10N2O3S/c1-5-6(4-10)3-8-7(9-5)13(2,11)12/h3,10H,4H2,1-2H3
InChIKeyCPWNOPXUMOWTMV-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.32
Rot. Bonds2

About (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol

(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol (PubChem CID 84721428) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
PubChem CID84721428
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
SMILESCc1nc(S(C)(=O)=O)ncc1CO
InChIInChI=1S/C7H10N2O3S/c1-5-6(4-10)3-8-7(9-5)13(2,11)12/h3,10H,4H2,1-2H3
InChIKeyCPWNOPXUMOWTMV-UHFFFAOYSA-N
XLogP-0.32
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-methylsulfonylpyrimidine-4-carboxamide
CID 147689446
(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine
CID 174902540
2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
CID 83852624
[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol
CID 130482956
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
ethyl 5-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 167884840
tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate
CID 162520246
[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
CID 83185065
[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184297
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
CID 83184457

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol?
The IUPAC name of (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol (CID 84721428) is (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol is Cc1nc(S(C)(=O)=O)ncc1CO.
What is the InChIKey of (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol?
The InChIKey is CPWNOPXUMOWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-5-6(4-10)3-8-7(9-5)13(2,11)12/h3,10H,4H2,1-2H3.
What are the key properties of (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol?
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol has a molecular weight of 202.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol is sourced from PubChem (CID 84721428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).