6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

C15H14ClF3N4O3S — CID 2507245

IUPAC6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H14ClF3N4O3S/c1-2-3-23-11(20)10(12(25)22-14(23)26)9(24)6-27-13-8(16)4-7(5-21-13)15(17,18)19/h4-5H,2-3,6,20H2,1H3,(H,22,25,26)
InChIKeyHVLJLHGSUNXELQ-UHFFFAOYSA-N
MW422.82 g/mol
LogP2.57
Rot. Bonds6

About 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 2507245) has the molecular formula C15H14ClF3N4O3S and a molecular weight of 422.82 g/mol. Its IUPAC name is 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID2507245
Molecular FormulaC15H14ClF3N4O3S
Molecular Weight422.82 g/mol
Exact Mass422.04
IUPAC Name6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H14ClF3N4O3S/c1-2-3-23-11(20)10(12(25)22-14(23)26)9(24)6-27-13-8(16)4-7(5-21-13)15(17,18)19/h4-5H,2-3,6,20H2,1H3,(H,22,25,26)
InChIKeyHVLJLHGSUNXELQ-UHFFFAOYSA-N
XLogP2.57
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2484257
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)acetamide
CID 2484295
N-(tert-butylcarbamoyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 3997484
1-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one
CID 8002417
6-Amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 2352701
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylacetamide
CID 2468387
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2484307
N-carbamoyl-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide
CID 3905338
2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-N-(2-(2-oxopyrrolidin-1-yl)acetyl)acetamide
CID 2621003
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2504987
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8899380
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16196898

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (CID 2507245) is 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is HVLJLHGSUNXELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O3S/c1-2-3-23-11(20)10(12(25)22-14(23)26)9(24)6-27-13-8(16)4-7(5-21-13)15(17,18)19/h4-5H,2-3,6,20H2,1H3,(H,22,25,26).
What are the key properties of 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 422.82 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2507245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).