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

C18H24FN7O — CID 146102429

IUPAC4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ncnc(C)c3F)C2)c1C
InChIInChI=1S/C18H24FN7O/c1-10-11(2)22-16(18(27)25(4)5)24-17(10)26-7-6-13(8-26)23-15-14(19)12(3)20-9-21-15/h9,13H,6-8H2,1-5H3,(H,20,21,23)/t13-/m1/s1
InChIKeyRVUUZOASIDUBRT-CYBMUJFWSA-N
MW373.44 g/mol
LogP1.72
Rot. Bonds4

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

4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 146102429) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
PubChem CID146102429
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC Name4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ncnc(C)c3F)C2)c1C
InChIInChI=1S/C18H24FN7O/c1-10-11(2)22-16(18(27)25(4)5)24-17(10)26-7-6-13(8-26)23-15-14(19)12(3)20-9-21-15/h9,13H,6-8H2,1-5H3,(H,20,21,23)/t13-/m1/s1
InChIKeyRVUUZOASIDUBRT-CYBMUJFWSA-N
XLogP1.72
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 146102429) is 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ncnc(C)c3F)C2)c1C.
What is the InChIKey of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The InChIKey is RVUUZOASIDUBRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24FN7O/c1-10-11(2)22-16(18(27)25(4)5)24-17(10)26-7-6-13(8-26)23-15-14(19)12(3)20-9-21-15/h9,13H,6-8H2,1-5H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146102429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).