5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide

C11H15F3N4OS — CID 106432982

IUPAC5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCSC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4OS/c1-6(2)9-17-5-7(15)8(18-9)10(19)16-3-4-20-11(12,13)14/h5-6H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyPJUTYHRIJLUNKL-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.16
Rot. Bonds5

About 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide

5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 106432982) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
PubChem CID106432982
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCSC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4OS/c1-6(2)9-17-5-7(15)8(18-9)10(19)16-3-4-20-11(12,13)14/h5-6H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyPJUTYHRIJLUNKL-UHFFFAOYSA-N
XLogP2.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylsulfonyl)ethyl]-2-isopropylpyrimidine-4-carboxamide
CID 119071563
2-Chloro-5-(2,2,2-trifluoroethylamino)pyrimidine-4-carboxamide
CID 117902042
N-propan-2-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 156043128
ethane;N-methyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170580367
2-chloro-N-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrimidine-4-carboxamide
CID 172612156
6-Chloro-3-methyl-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 172612162
2-chloro-5-[(2,2-difluoroacetyl)amino]-N-methylpyrimidine-4-carboxamide
CID 172612164
6-(trifluoromethyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 176149768
6-(Azetidin-1-yl)-3-methyl-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 177749462
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 51107587
5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 55043673
5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62159608

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide (CID 106432982) is 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCCSC(F)(F)F)n1.
What is the InChIKey of 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is PJUTYHRIJLUNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-6(2)9-17-5-7(15)8(18-9)10(19)16-3-4-20-11(12,13)14/h5-6H,3-4,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 106432982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).