4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine

C15H15FN2O2S — CID 126818050

IUPAC4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine
SMILESO=S(=O)(Cc1ccnc(-c2ccc(F)cc2)n1)CC1CC1
InChIInChI=1S/C15H15FN2O2S/c16-13-5-3-12(4-6-13)15-17-8-7-14(18-15)10-21(19,20)9-11-1-2-11/h3-8,11H,1-2,9-10H2
InChIKeyRNUWBUDMINWRSN-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.61
Rot. Bonds5

About 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine

4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine (PubChem CID 126818050) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine
PubChem CID126818050
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine
SMILESO=S(=O)(Cc1ccnc(-c2ccc(F)cc2)n1)CC1CC1
InChIInChI=1S/C15H15FN2O2S/c16-13-5-3-12(4-6-13)15-17-8-7-14(18-15)10-21(19,20)9-11-1-2-11/h3-8,11H,1-2,9-10H2
InChIKeyRNUWBUDMINWRSN-UHFFFAOYSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine (CID 126818050) is 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine is O=S(=O)(Cc1ccnc(-c2ccc(F)cc2)n1)CC1CC1.
What is the InChIKey of 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine?
The InChIKey is RNUWBUDMINWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-5-3-12(4-6-13)15-17-8-7-14(18-15)10-21(19,20)9-11-1-2-11/h3-8,11H,1-2,9-10H2.
What are the key properties of 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine?
4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine has a molecular weight of 306.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfonylmethyl)-2-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 126818050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).