2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

C9H11F3N6O2 — CID 106771829

IUPAC2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N6O2/c10-9(11,12)8-16-4(13)1-7(17-8)18(2-5(14)19)3-6(15)20/h1H,2-3H2,(H2,14,19)(H2,15,20)(H2,13,16,17)
InChIKeyHMLIGSUNMXRXHZ-UHFFFAOYSA-N
MW292.22 g/mol
LogP-1.15
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (PubChem CID 106771829) has the molecular formula C9H11F3N6O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
PubChem CID106771829
Molecular FormulaC9H11F3N6O2
Molecular Weight292.22 g/mol
Exact Mass292.09
IUPAC Name2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N6O2/c10-9(11,12)8-16-4(13)1-7(17-8)18(2-5(14)19)3-6(15)20/h1H,2-3H2,(H2,14,19)(H2,15,20)(H2,13,16,17)
InChIKeyHMLIGSUNMXRXHZ-UHFFFAOYSA-N
XLogP-1.15
TPSA141.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide with MolForge

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Related Compounds

4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771018
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 106769899
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771446
4-N-ethyl-4-N-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770656
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 106771112
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 56956170
4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771651
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80821516
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80961691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (CID 106771829) is 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is NC(=O)CN(CC(N)=O)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The InChIKey is HMLIGSUNMXRXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6O2/c10-9(11,12)8-16-4(13)1-7(17-8)18(2-5(14)19)3-6(15)20/h1H,2-3H2,(H2,14,19)(H2,15,20)(H2,13,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide has a molecular weight of 292.22 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 106771829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).