6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

C14H12F3N5O3S — CID 18209446

IUPAC6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nccc(C(F)(F)F)n2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C14H12F3N5O3S/c15-14(16,17)8-3-4-19-12(20-8)26-5-7(23)9-10(18)22(6-1-2-6)13(25)21-11(9)24/h3-4,6H,1-2,5,18H2,(H,21,24,25)
InChIKeyBBDNYNQGHULEPK-UHFFFAOYSA-N
MW387.34 g/mol
LogP1.24
Rot. Bonds5

About 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 18209446) has the molecular formula C14H12F3N5O3S and a molecular weight of 387.34 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID18209446
Molecular FormulaC14H12F3N5O3S
Molecular Weight387.34 g/mol
Exact Mass387.06
IUPAC Name6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nccc(C(F)(F)F)n2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C14H12F3N5O3S/c15-14(16,17)8-3-4-19-12(20-8)26-5-7(23)9-10(18)22(6-1-2-6)13(25)21-11(9)24/h3-4,6H,1-2,5,18H2,(H,21,24,25)
InChIKeyBBDNYNQGHULEPK-UHFFFAOYSA-N
XLogP1.24
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (CID 18209446) is 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is Nc1c(C(=O)CSc2nccc(C(F)(F)F)n2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is BBDNYNQGHULEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3S/c15-14(16,17)8-3-4-19-12(20-8)26-5-7(23)9-10(18)22(6-1-2-6)13(25)21-11(9)24/h3-4,6H,1-2,5,18H2,(H,21,24,25).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 387.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 18209446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).