3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

C11H15ClF3N3O — CID 114093887

IUPAC3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCCc1nc(Cl)c(C)c(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-3-4-8-17-9(12)6(2)10(18-8)16-5-7(19)11(13,14)15/h7,19H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyFDPABGACXSNLOC-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.73
Rot. Bonds5

About 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114093887) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID114093887
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCCc1nc(Cl)c(C)c(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-3-4-8-17-9(12)6(2)10(18-8)16-5-7(19)11(13,14)15/h7,19H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyFDPABGACXSNLOC-UHFFFAOYSA-N
XLogP2.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol 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 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 114093887) is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is CCCc1nc(Cl)c(C)c(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FDPABGACXSNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-3-4-8-17-9(12)6(2)10(18-8)16-5-7(19)11(13,14)15/h7,19H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 297.71 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).