N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide

C9H10ClF3N4O — CID 21081033

IUPACN-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(18)14-2-3-15-7-6(9(11,12)13)4-16-8(10)17-7/h4H,2-3H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJVMTZDHNLNHYHC-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.70
Rot. Bonds4

About N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 21081033) has the molecular formula C9H10ClF3N4O and a molecular weight of 282.65 g/mol. Its IUPAC name is N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID21081033
Molecular FormulaC9H10ClF3N4O
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC NameN-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(18)14-2-3-15-7-6(9(11,12)13)4-16-8(10)17-7/h4H,2-3H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJVMTZDHNLNHYHC-UHFFFAOYSA-N
XLogP1.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 21081033) is N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is JVMTZDHNLNHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4O/c1-5(18)14-2-3-15-7-6(9(11,12)13)4-16-8(10)17-7/h4H,2-3H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 282.65 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 21081033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).