1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C19H20F3N7O — CID 58119242

IUPAC1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1nc(N)nc(N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N
InChIInChI=1S/C19H20F3N7O/c1-28(2)15-13(10-23)16(27-18(24)26-15)29-8-4-7-14(29)17(30)25-12-6-3-5-11(9-12)19(20,21)22/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,25,30)(H2,24,26,27)
InChIKeySOXUMHYWOASCEV-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 58119242) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID58119242
Molecular FormulaC19H20F3N7O
Molecular Weight419.41 g/mol
Exact Mass419.17
IUPAC Name1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1nc(N)nc(N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N
InChIInChI=1S/C19H20F3N7O/c1-28(2)15-13(10-23)16(27-18(24)26-15)29-8-4-7-14(29)17(30)25-12-6-3-5-11(9-12)19(20,21)22/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,25,30)(H2,24,26,27)
InChIKeySOXUMHYWOASCEV-UHFFFAOYSA-N
XLogP2.62
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8M7Ewm4fye
CID 72188645
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CID 44532564
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CID 90654564
(2R)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 90654565
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168269123
(2S)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168273974
(2S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-ethyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 58119242) is 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CN(C)c1nc(N)nc(N2CCCC2C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N.
What is the InChIKey of 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is SOXUMHYWOASCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O/c1-28(2)15-13(10-23)16(27-18(24)26-15)29-8-4-7-14(29)17(30)25-12-6-3-5-11(9-12)19(20,21)22/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,25,30)(H2,24,26,27).
What are the key properties of 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-cyano-6-(dimethylamino)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58119242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).