N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

C11H15F3N6O — CID 114567571

IUPACN-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(NN)n2)C1
InChIInChI=1S/C11H15F3N6O/c1-6(21)16-7-2-3-20(5-7)9-4-8(11(12,13)14)17-10(18-9)19-15/h4,7H,2-3,5,15H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyKWFYYBIDRJYYLI-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.50
Rot. Bonds3

About N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 114567571) has the molecular formula C11H15F3N6O and a molecular weight of 304.28 g/mol. Its IUPAC name is N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID114567571
Molecular FormulaC11H15F3N6O
Molecular Weight304.28 g/mol
Exact Mass304.13
IUPAC NameN-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(NN)n2)C1
InChIInChI=1S/C11H15F3N6O/c1-6(21)16-7-2-3-20(5-7)9-4-8(11(12,13)14)17-10(18-9)19-15/h4,7H,2-3,5,15H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyKWFYYBIDRJYYLI-UHFFFAOYSA-N
XLogP0.50
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
(4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-L-prolinamide
CID 70776865
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
4-(difluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720436
N-(2-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)ethyl)isobutyramide
CID 45497033
N-((4-(dimethylamino)-6-methylpyrimidin-2-yl)methyl)propionamide
CID 72718146
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)pivalamide
CID 71807381
1-Methyl-3-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 75422659
5-(2-{[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino}ethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 131948488
N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 164639400
(4R)-4-[[[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyrrolidin-2-one
CID 171359039

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (CID 114567571) is N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2cc(C(F)(F)F)nc(NN)n2)C1.
What is the InChIKey of N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is KWFYYBIDRJYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6O/c1-6(21)16-7-2-3-20(5-7)9-4-8(11(12,13)14)17-10(18-9)19-15/h4,7H,2-3,5,15H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 304.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 114567571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).