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

C20H27FN6O — CID 154799523

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC(C)c3ccc(F)cn3)C2)c1C
InChIInChI=1S/C20H27FN6O/c1-12-13(2)24-18(20(28)26(4)5)25-19(12)27-9-8-16(11-27)23-14(3)17-7-6-15(21)10-22-17/h6-7,10,14,16,23H,8-9,11H2,1-5H3/t14?,16-/m1/s1
InChIKeyHLYOATSYOWBADM-BZSJEYESSA-N
MW386.48 g/mol
LogP2.26
Rot. Bonds5

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

4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 154799523) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
PubChem CID154799523
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC(C)c3ccc(F)cn3)C2)c1C
InChIInChI=1S/C20H27FN6O/c1-12-13(2)24-18(20(28)26(4)5)25-19(12)27-9-8-16(11-27)23-14(3)17-7-6-15(21)10-22-17/h6-7,10,14,16,23H,8-9,11H2,1-5H3/t14?,16-/m1/s1
InChIKeyHLYOATSYOWBADM-BZSJEYESSA-N
XLogP2.26
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 154799523) is 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC(C)c3ccc(F)cn3)C2)c1C.
What is the InChIKey of 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The InChIKey is HLYOATSYOWBADM-BZSJEYESSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-12-13(2)24-18(20(28)26(4)5)25-19(12)27-9-8-16(11-27)23-14(3)17-7-6-15(21)10-22-17/h6-7,10,14,16,23H,8-9,11H2,1-5H3/t14?,16-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 154799523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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