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

C15H22F3N5O — CID 126452220

IUPAC(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)N2CC[C@@H](N(C)C)C2)n1
InChIInChI=1S/C15H22F3N5O/c1-10-8-12(15(16,17)18)21-13(20-10)4-6-19-14(24)23-7-5-11(9-23)22(2)3/h8,11H,4-7,9H2,1-3H3,(H,19,24)/t11-/m1/s1
InChIKeyXUYTYJRIPJLHTP-LLVKDONJSA-N
MW345.37 g/mol
LogP1.69
Rot. Bonds4

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

(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 126452220) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID126452220
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)N2CC[C@@H](N(C)C)C2)n1
InChIInChI=1S/C15H22F3N5O/c1-10-8-12(15(16,17)18)21-13(20-10)4-6-19-14(24)23-7-5-11(9-23)22(2)3/h8,11H,4-7,9H2,1-3H3,(H,19,24)/t11-/m1/s1
InChIKeyXUYTYJRIPJLHTP-LLVKDONJSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 126440537
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N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
3-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 91787691
3-methoxy-1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 71796959
5-(difluoromethyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 91765764
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
CID 95712319
(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288091
3-(furan-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide (CID 126452220) is (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CC[C@@H](N(C)C)C2)n1.
What is the InChIKey of (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XUYTYJRIPJLHTP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-10-8-12(15(16,17)18)21-13(20-10)4-6-19-14(24)23-7-5-11(9-23)22(2)3/h8,11H,4-7,9H2,1-3H3,(H,19,24)/t11-/m1/s1.
What are the key properties of (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide?
(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126452220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).