5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide

C11H13F3N4O2 — CID 133380661

IUPAC5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)C1CCC(CNc2nccc(C(F)(F)F)n2)O1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-3-4-16-10(18-8)17-5-6-1-2-7(20-6)9(15)19/h3-4,6-7H,1-2,5H2,(H2,15,19)(H,16,17,18)
InChIKeySUFVRQQGYLFUJN-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.94
Rot. Bonds4

About 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide

5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide (PubChem CID 133380661) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
PubChem CID133380661
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)C1CCC(CNc2nccc(C(F)(F)F)n2)O1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-3-4-16-10(18-8)17-5-6-1-2-7(20-6)9(15)19/h3-4,6-7H,1-2,5H2,(H2,15,19)(H,16,17,18)
InChIKeySUFVRQQGYLFUJN-UHFFFAOYSA-N
XLogP0.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 27444161
Oxolan-2-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 60417496
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 60725870
2-cyclopentyloxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 72006786
3-(oxolan-2-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 72006792
N-{2-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 72924824
5-[[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 80006145
N-{1-[6-(Trifluoromethyl)pyrimidin-4-YL]piperidin-4-YL}oxolane-2-carboxamide
CID 91892408
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97207000
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97207001
3-[(2S)-oxolan-2-yl]-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 97565343
3-[(2R)-oxolan-2-yl]-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 97565344

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide (CID 133380661) is 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide is NC(=O)C1CCC(CNc2nccc(C(F)(F)F)n2)O1.
What is the InChIKey of 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is SUFVRQQGYLFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-3-4-16-10(18-8)17-5-6-1-2-7(20-6)9(15)19/h3-4,6-7H,1-2,5H2,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).