5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide

C13H18F3N5O2 — CID 133380577

IUPAC5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)c1cc(C(F)(F)F)nc(NCC2CCC(C(N)=O)O2)n1
InChIInChI=1S/C13H18F3N5O2/c1-21(2)10-5-9(13(14,15)16)19-12(20-10)18-6-7-3-4-8(23-7)11(17)22/h5,7-8H,3-4,6H2,1-2H3,(H2,17,22)(H,18,19,20)
InChIKeyJRNZQVZSEVINKO-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.01
Rot. Bonds5

About 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide

5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide (PubChem CID 133380577) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
PubChem CID133380577
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC Name5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)c1cc(C(F)(F)F)nc(NCC2CCC(C(N)=O)O2)n1
InChIInChI=1S/C13H18F3N5O2/c1-21(2)10-5-9(13(14,15)16)19-12(20-10)18-6-7-3-4-8(23-7)11(17)22/h5,7-8H,3-4,6H2,1-2H3,(H2,17,22)(H,18,19,20)
InChIKeyJRNZQVZSEVINKO-UHFFFAOYSA-N
XLogP1.01
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide (CID 133380577) is 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide is CN(C)c1cc(C(F)(F)F)nc(NCC2CCC(C(N)=O)O2)n1.
What is the InChIKey of 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is JRNZQVZSEVINKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-21(2)10-5-9(13(14,15)16)19-12(20-10)18-6-7-3-4-8(23-7)11(17)22/h5,7-8H,3-4,6H2,1-2H3,(H2,17,22)(H,18,19,20).
What are the key properties of 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide?
5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).