N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

C21H27F3N6O3 — CID 146102435

IUPACN,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N6O.C2HF3O2/c1-12-10-15(6-8-20-12)22-16-7-9-25(11-16)18-13(2)14(3)21-17(23-18)19(26)24(4)5;3-2(4,5)1(6)7/h6,8,10,16H,7,9,11H2,1-5H3,(H,20,22);(H,6,7)/t16-;/m1./s1
InChIKeyCKUGPDABIPHREU-PKLMIRHRSA-N
MW468.48 g/mol
LogP2.82
Rot. Bonds4

About N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146102435) has the molecular formula C21H27F3N6O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146102435
Molecular FormulaC21H27F3N6O3
Molecular Weight468.48 g/mol
Exact Mass468.21
IUPAC NameN,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N6O.C2HF3O2/c1-12-10-15(6-8-20-12)22-16-7-9-25(11-16)18-13(2)14(3)21-17(23-18)19(26)24(4)5;3-2(4,5)1(6)7/h6,8,10,16H,7,9,11H2,1-5H3,(H,20,22);(H,6,7)/t16-;/m1./s1
InChIKeyCKUGPDABIPHREU-PKLMIRHRSA-N
XLogP2.82
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-[(3R)-3-[(5,6-dimethylpyrazin-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167755351
N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112136
4-[(3R)-3-[(2-cyano-4-methyl-3-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112102
4-[(3R)-3-[(2-ethyl-1,2,4-triazol-3-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167812703
4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112150
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977
4-[(3R)-3-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112359
4-[(3R)-3-[(6-cyano-5-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112144
4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 154799523
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146102398
4-[(3R)-3-[(1-cyclopropylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102403

Frequently Asked Questions

What is the IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 146102435) is N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CKUGPDABIPHREU-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H26N6O.C2HF3O2/c1-12-10-15(6-8-20-12)22-16-7-9-25(11-16)18-13(2)14(3)21-17(23-18)19(26)24(4)5;3-2(4,5)1(6)7/h6,8,10,16H,7,9,11H2,1-5H3,(H,20,22);(H,6,7)/t16-;/m1./s1.
What are the key properties of N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 468.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146102435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).