5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one

C8H9ClF3N3O — CID 114582585

IUPAC5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCC(F)(F)F)c1=O
InChIInChI=1S/C8H9ClF3N3O/c9-6-5(13)7(16)15(4-14-6)3-1-2-8(10,11)12/h4H,1-3,13H2
InChIKeyDCPLAJWRJZBPNV-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.82
Rot. Bonds3

About 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one

5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one (PubChem CID 114582585) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
PubChem CID114582585
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCC(F)(F)F)c1=O
InChIInChI=1S/C8H9ClF3N3O/c9-6-5(13)7(16)15(4-14-6)3-1-2-8(10,11)12/h4H,1-3,13H2
InChIKeyDCPLAJWRJZBPNV-UHFFFAOYSA-N
XLogP1.82
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-Amino-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582482
5-Amino-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582494
5-Amino-6-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114582508
5-Amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one
CID 114582624
5-Amino-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582648
5-Amino-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5-Amino-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582847
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one (CID 114582585) is 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCCC(F)(F)F)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
The InChIKey is DCPLAJWRJZBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c9-6-5(13)7(16)15(4-14-6)3-1-2-8(10,11)12/h4H,1-3,13H2.
What are the key properties of 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one?
5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one has a molecular weight of 255.63 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one is sourced from PubChem (CID 114582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).