4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine

C16H18N2O3S — CID 161232943

IUPAC4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine
SMILESCOc1cc(CS(C)(=O)=O)ccc1-c1cncnc1C1CC1
InChIInChI=1S/C16H18N2O3S/c1-21-15-7-11(9-22(2,19)20)3-6-13(15)14-8-17-10-18-16(14)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3
InChIKeyUYZMVHMMWLYKQD-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.57
Rot. Bonds5

About 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine

4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine (PubChem CID 161232943) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine
PubChem CID161232943
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine
SMILESCOc1cc(CS(C)(=O)=O)ccc1-c1cncnc1C1CC1
InChIInChI=1S/C16H18N2O3S/c1-21-15-7-11(9-22(2,19)20)3-6-13(15)14-8-17-10-18-16(14)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3
InChIKeyUYZMVHMMWLYKQD-UHFFFAOYSA-N
XLogP2.57
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 147683909
4-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrrolo[1,2-c]pyrimidine
CID 157140569
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline
CID 167915097
5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine
CID 176719811
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653
2-[2-methoxy-4-(methylsulfonylmethyl)phenyl]-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 21272722
2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
CID 160647577
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176
2,2,2-trifluoro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]ethanesulfonamide
CID 56652999
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448
4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576285

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine?
The IUPAC name of 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine (CID 161232943) is 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine is COc1cc(CS(C)(=O)=O)ccc1-c1cncnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine?
The InChIKey is UYZMVHMMWLYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-15-7-11(9-22(2,19)20)3-6-13(15)14-8-17-10-18-16(14)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine?
4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine has a molecular weight of 318.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[2-methoxy-4-(methylsulfonylmethyl)phenyl]pyrimidine is sourced from PubChem (CID 161232943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).