5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C21H28F3N5O3S — CID 42824942

IUPAC5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1
InChIInChI=1S/C21H28F3N5O3S/c1-3-29(4-2)18-13-17(21(22,23)24)26-20(27-18)33-14-15-5-6-16(32-15)19(30)25-7-8-28-9-11-31-12-10-28/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,25,30)
InChIKeyVEAAXCSLSRDWSZ-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.29
Rot. Bonds10

About 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 42824942) has the molecular formula C21H28F3N5O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID42824942
Molecular FormulaC21H28F3N5O3S
Molecular Weight487.55 g/mol
Exact Mass487.19
IUPAC Name5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1
InChIInChI=1S/C21H28F3N5O3S/c1-3-29(4-2)18-13-17(21(22,23)24)26-20(27-18)33-14-15-5-6-16(32-15)19(30)25-7-8-28-9-11-31-12-10-28/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,25,30)
InChIKeyVEAAXCSLSRDWSZ-UHFFFAOYSA-N
XLogP3.29
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 42824944
5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42824167
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42827417
5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide
CID 42825019
5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42824972
5-[[4-[benzyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42824958
N-(2-morpholin-4-ylethyl)-5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 83289833
N-(2-methylpropyl)-5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
CID 42824922
5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 46143820
4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42754446
5-[[4-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42824945
5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42824968

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 42824942) is 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is CCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1.
What is the InChIKey of 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is VEAAXCSLSRDWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O3S/c1-3-29(4-2)18-13-17(21(22,23)24)26-20(27-18)33-14-15-5-6-16(32-15)19(30)25-7-8-28-9-11-31-12-10-28/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,25,30).
What are the key properties of 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42824942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).