N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C17H20F3N7O — CID 146102398

IUPACN,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3nccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C17H20F3N7O/c1-9-10(2)23-13(15(28)21-3)26-14(9)27-7-5-11(8-27)24-16-22-6-4-12(25-16)17(18,19)20/h4,6,11H,5,7-8H2,1-3H3,(H,21,28)(H,22,24,25)/t11-/m1/s1
InChIKeyGEHCYASHFWALKA-LLVKDONJSA-N
MW395.39 g/mol
LogP1.95
Rot. Bonds4

About N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146102398) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID146102398
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC NameN,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3nccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C17H20F3N7O/c1-9-10(2)23-13(15(28)21-3)26-14(9)27-7-5-11(8-27)24-16-22-6-4-12(25-16)17(18,19)20/h4,6,11H,5,7-8H2,1-3H3,(H,21,28)(H,22,24,25)/t11-/m1/s1
InChIKeyGEHCYASHFWALKA-LLVKDONJSA-N
XLogP1.95
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 154794900
N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111830
4-[(3R)-3-(1,4-dioxepan-6-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112414
N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112283
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112401
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
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95331385
4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153787
4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111740
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133438923

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146102398) is N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3nccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is GEHCYASHFWALKA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-9-10(2)23-13(15(28)21-3)26-14(9)27-7-5-11(8-27)24-16-22-6-4-12(25-16)17(18,19)20/h4,6,11H,5,7-8H2,1-3H3,(H,21,28)(H,22,24,25)/t11-/m1/s1.
What are the key properties of N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146102398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).