4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide

C16H23F2N5O — CID 167894978

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C2CC(F)(F)C2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C16H23F2N5O/c1-9-10(2)20-13(21-14(9)23-5-4-11(19)8-23)15(24)22(3)12-6-16(17,18)7-12/h11-12H,4-8,19H2,1-3H3/t11-/m1/s1
InChIKeyZVLUNYSRUQXSHZ-LLVKDONJSA-N
MW339.39 g/mol
LogP1.50
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 167894978) has the molecular formula C16H23F2N5O and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID167894978
Molecular FormulaC16H23F2N5O
Molecular Weight339.39 g/mol
Exact Mass339.19
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C2CC(F)(F)C2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C16H23F2N5O/c1-9-10(2)20-13(21-14(9)23-5-4-11(19)8-23)15(24)22(3)12-6-16(17,18)7-12/h11-12H,4-8,19H2,1-3H3/t11-/m1/s1
InChIKeyZVLUNYSRUQXSHZ-LLVKDONJSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
(4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethyl-L-prolinamide
CID 70766730
4-[(3R)-3-aminopyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 165671954
(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 95144260
1-[4-(Dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone
CID 134410661
2,2,2-Trifluoro-1-[4-(3-fluoroazetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 134410764
(9S)-3-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carboxamide
CID 135370659
(9S)-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carboxamide
CID 135370660
1-[3-ethynyl-4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 156843632
N-[2-[(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 164111631
N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)-4-pyrimidinyl]-2-piperazinecarboxamide
CID 56889561
1-(Trifluoroacetyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane
CID 72910880

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide (CID 167894978) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C2CC(F)(F)C2)nc(N2CC[C@@H](N)C2)c1C.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is ZVLUNYSRUQXSHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23F2N5O/c1-9-10(2)20-13(21-14(9)23-5-4-11(19)8-23)15(24)22(3)12-6-16(17,18)7-12/h11-12H,4-8,19H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 167894978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).