N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C11H15F2N3O2S — CID 104862847

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2N3O2S/c1-6-8(10(19-3)16-7(2)15-6)9(18)14-4-11(12,13)5-17/h17H,4-5H2,1-3H3,(H,14,18)
InChIKeyBHRXUDNROSQICV-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.17
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 104862847) has the molecular formula C11H15F2N3O2S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID104862847
Molecular FormulaC11H15F2N3O2S
Molecular Weight291.32 g/mol
Exact Mass291.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2N3O2S/c1-6-8(10(19-3)16-7(2)15-6)9(18)14-4-11(12,13)5-17/h17H,4-5H2,1-3H3,(H,14,18)
InChIKeyBHRXUDNROSQICV-UHFFFAOYSA-N
XLogP1.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 104862847) is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C)nc(C)c1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is BHRXUDNROSQICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2S/c1-6-8(10(19-3)16-7(2)15-6)9(18)14-4-11(12,13)5-17/h17H,4-5H2,1-3H3,(H,14,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 104862847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).