carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide

C7H7F3N4O3 — CID 87240308

IUPACcarbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
SMILESNC(=O)O.O=C(Nc1ncccn1)C(F)(F)F
InChIInChI=1S/C6H4F3N3O.CH3NO2/c7-6(8,9)4(13)12-5-10-2-1-3-11-5;2-1(3)4/h1-3H,(H,10,11,12,13);2H2,(H,3,4)
InChIKeyACDORSAIXNAGHW-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.60
Rot. Bonds1

About carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide

carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide (PubChem CID 87240308) has the molecular formula C7H7F3N4O3 and a molecular weight of 252.15 g/mol. Its IUPAC name is carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Namecarbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
PubChem CID87240308
Molecular FormulaC7H7F3N4O3
Molecular Weight252.15 g/mol
Exact Mass252.05
IUPAC Namecarbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
SMILESNC(=O)O.O=C(Nc1ncccn1)C(F)(F)F
InChIInChI=1S/C6H4F3N3O.CH3NO2/c7-6(8,9)4(13)12-5-10-2-1-3-11-5;2-1(3)4/h1-3H,(H,10,11,12,13);2H2,(H,3,4)
InChIKeyACDORSAIXNAGHW-UHFFFAOYSA-N
XLogP0.60
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamidopyrimidine
CID 273584
1-(2-Pyrimidinyl)-3-(2,2,2-trifluoroethyl)urea
CID 659628
Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate
CID 383573
2-((Pyrimidin-2-yl)amino)acetic acid
CID 16228214
N-(pyrimidin-2-yl)prop-2-enamide
CID 43616335
3,3,3-trifluoro-2-methyl-N-(pyrimidin-2-yl)-2-(trifluoromethyl)propanamide
CID 1931180
2,2-Difluoro-2-(pyrimidin-2-yl)acetic acid
CID 84654803
butyl N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]carbamate
CID 2729323
2-Pyrimidin-4-ylguanidine;2,2,2-trifluoroacetic acid
CID 162657343
2,2,3,3,4,4,4-heptafluoro-N-pyrimidin-2-ylbutanamide
CID 168292262
N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]propanamide
CID 1937332
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-pyrimidin-2-ylurea
CID 3565125

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide?
The IUPAC name of carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide (CID 87240308) is carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide?
The canonical SMILES for carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide is NC(=O)O.O=C(Nc1ncccn1)C(F)(F)F.
What is the InChIKey of carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide?
The InChIKey is ACDORSAIXNAGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O.CH3NO2/c7-6(8,9)4(13)12-5-10-2-1-3-11-5;2-1(3)4/h1-3H,(H,10,11,12,13);2H2,(H,3,4).
What are the key properties of carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide?
carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide has a molecular weight of 252.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 87240308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).