1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

C12H16F3N5O — CID 60507554

IUPAC1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(C(N)=O)C2)n1
InChIInChI=1S/C12H16F3N5O/c1-19(2)9-5-8(12(13,14)15)17-11(18-9)20-4-3-7(6-20)10(16)21/h5,7H,3-4,6H2,1-2H3,(H2,16,21)
InChIKeyJORITPKECOAWTG-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.87
Rot. Bonds3

About 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 60507554) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
PubChem CID60507554
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(C(N)=O)C2)n1
InChIInChI=1S/C12H16F3N5O/c1-19(2)9-5-8(12(13,14)15)17-11(18-9)20-4-3-7(6-20)10(16)21/h5,7H,3-4,6H2,1-2H3,(H2,16,21)
InChIKeyJORITPKECOAWTG-UHFFFAOYSA-N
XLogP0.87
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (CID 60507554) is 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is CN(C)c1cc(C(F)(F)F)nc(N2CCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is JORITPKECOAWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-19(2)9-5-8(12(13,14)15)17-11(18-9)20-4-3-7(6-20)10(16)21/h5,7H,3-4,6H2,1-2H3,(H2,16,21).
What are the key properties of 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 60507554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).