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

C17H22FN7O — CID 146102409

IUPAC4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3ncnc(C)c3F)C2)n1
InChIInChI=1S/C17H22FN7O/c1-9-10(2)22-15(17(26)19-4)24-16(9)25-6-5-12(7-25)23-14-13(18)11(3)20-8-21-14/h8,12H,5-7H2,1-4H3,(H,19,26)(H,20,21,23)/t12-/m1/s1
InChIKeyWQYWUHVKJDOYDJ-GFCCVEGCSA-N
MW359.41 g/mol
LogP1.38
Rot. Bonds4

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

4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146102409) has the molecular formula C17H22FN7O and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID146102409
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC Name4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3ncnc(C)c3F)C2)n1
InChIInChI=1S/C17H22FN7O/c1-9-10(2)22-15(17(26)19-4)24-16(9)25-6-5-12(7-25)23-14-13(18)11(3)20-8-21-14/h8,12H,5-7H2,1-4H3,(H,19,26)(H,20,21,23)/t12-/m1/s1
InChIKeyWQYWUHVKJDOYDJ-GFCCVEGCSA-N
XLogP1.38
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
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,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146102409) is 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3ncnc(C)c3F)C2)n1.
What is the InChIKey of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is WQYWUHVKJDOYDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22FN7O/c1-9-10(2)22-15(17(26)19-4)24-16(9)25-6-5-12(7-25)23-14-13(18)11(3)20-8-21-14/h8,12H,5-7H2,1-4H3,(H,19,26)(H,20,21,23)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 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,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146102409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).