1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol

C10H13ClF3N3O — CID 167906593

IUPAC1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol
SMILESCCC(O)CCNc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-2-6(18)3-4-15-9-16-5-7(11)8(17-9)10(12,13)14/h5-6,18H,2-4H2,1H3,(H,15,16,17)
InChIKeyUUYVRUNDRGJQAD-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.72
Rot. Bonds5

About 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol

1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol (PubChem CID 167906593) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol
PubChem CID167906593
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol
SMILESCCC(O)CCNc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-2-6(18)3-4-15-9-16-5-7(11)8(17-9)10(12,13)14/h5-6,18H,2-4H2,1H3,(H,15,16,17)
InChIKeyUUYVRUNDRGJQAD-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol?
The IUPAC name of 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol (CID 167906593) is 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol?
The canonical SMILES for 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol is CCC(O)CCNc1ncc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol?
The InChIKey is UUYVRUNDRGJQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-2-6(18)3-4-15-9-16-5-7(11)8(17-9)10(12,13)14/h5-6,18H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol?
1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol has a molecular weight of 283.68 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-3-ol is sourced from PubChem (CID 167906593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).