4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

C23H33N5O — CID 146112295

IUPAC4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCCc1ccc(C(C)N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cc1
InChIInChI=1S/C23H33N5O/c1-7-18-8-10-19(11-9-18)17(4)24-20-12-13-28(14-20)22-15(2)16(3)25-21(26-22)23(29)27(5)6/h8-11,17,20,24H,7,12-14H2,1-6H3/t17?,20-/m1/s1
InChIKeyYXKDYGQVMQUDNU-UUSAFJCLSA-N
MW395.55 g/mol
LogP3.29
Rot. Bonds6

About 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 146112295) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
PubChem CID146112295
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCCc1ccc(C(C)N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cc1
InChIInChI=1S/C23H33N5O/c1-7-18-8-10-19(11-9-18)17(4)24-20-12-13-28(14-20)22-15(2)16(3)25-21(26-22)23(29)27(5)6/h8-11,17,20,24H,7,12-14H2,1-6H3/t17?,20-/m1/s1
InChIKeyYXKDYGQVMQUDNU-UUSAFJCLSA-N
XLogP3.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 154799523
N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167840248
4-[(3R)-3-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112359
N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112323
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146150361
N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111887
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-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112026
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
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-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 146112295) is 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is CCc1ccc(C(C)N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cc1.
What is the InChIKey of 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The InChIKey is YXKDYGQVMQUDNU-UUSAFJCLSA-N. The full InChI is InChI=1S/C23H33N5O/c1-7-18-8-10-19(11-9-18)17(4)24-20-12-13-28(14-20)22-15(2)16(3)25-21(26-22)23(29)27(5)6/h8-11,17,20,24H,7,12-14H2,1-6H3/t17?,20-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146112295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).