1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C12H16F3N5O — CID 106770309

IUPAC1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNc1cc(N2CCCC2C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-2-17-8-6-9(19-11(18-8)12(13,14)15)20-5-3-4-7(20)10(16)21/h6-7H,2-5H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyXTRVOVVBMDDEFB-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.38
Rot. Bonds4

About 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 106770309) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID106770309
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNc1cc(N2CCCC2C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-2-17-8-6-9(19-11(18-8)12(13,14)15)20-5-3-4-7(20)10(16)21/h6-7H,2-5H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyXTRVOVVBMDDEFB-UHFFFAOYSA-N
XLogP1.38
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 106770309) is 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCNc1cc(N2CCCC2C(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is XTRVOVVBMDDEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-2-17-8-6-9(19-11(18-8)12(13,14)15)20-5-3-4-7(20)10(16)21/h6-7H,2-5H2,1H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106770309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).