N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide

C9H10ClF3N4O — CID 106767206

IUPACN-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N4O/c1-5(18)14-2-3-15-7-4-6(10)16-8(17-7)9(11,12)13/h4H,2-3H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyORBFPKSLCKGMRX-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.70
Rot. Bonds4

About N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 106767206) has the molecular formula C9H10ClF3N4O and a molecular weight of 282.65 g/mol. Its IUPAC name is N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID106767206
Molecular FormulaC9H10ClF3N4O
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC NameN-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N4O/c1-5(18)14-2-3-15-7-4-6(10)16-8(17-7)9(11,12)13/h4H,2-3H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyORBFPKSLCKGMRX-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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Related Compounds

ethyl 4-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 106767911
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311254
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106768280
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 106767206) is N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is ORBFPKSLCKGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4O/c1-5(18)14-2-3-15-7-4-6(10)16-8(17-7)9(11,12)13/h4H,2-3H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-chloro-2-(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-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 106767206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).