N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide

C17H22FN3O3S — CID 71176899

IUPACN-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
SMILESCOCc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C
InChIInChI=1S/C17H22FN3O3S/c1-11(2)15-14(10-24-4)16(12-6-8-13(18)9-7-12)20-17(19-15)21(3)25(5,22)23/h6-9,11H,10H2,1-5H3
InChIKeyNNZBYQSMIISIHT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.95
Rot. Bonds6

About N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide

N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 71176899) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
PubChem CID71176899
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC NameN-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
SMILESCOCc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C
InChIInChI=1S/C17H22FN3O3S/c1-11(2)15-14(10-24-4)16(12-6-8-13(18)9-7-12)20-17(19-15)21(3)25(5,22)23/h6-9,11H,10H2,1-5H3
InChIKeyNNZBYQSMIISIHT-UHFFFAOYSA-N
XLogP2.95
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide (CID 71176899) is N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide is COCc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is NNZBYQSMIISIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c1-11(2)15-14(10-24-4)16(12-6-8-13(18)9-7-12)20-17(19-15)21(3)25(5,22)23/h6-9,11H,10H2,1-5H3.
What are the key properties of N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide?
N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71176899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).