(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one

C14H17FN6O — CID 129004493

IUPAC(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](Nc3ncc(F)cn3)CC(=O)N2C)cnn1C
InChIInChI=1S/C14H17FN6O/c1-8-10(7-18-21(8)3)13-11(4-12(22)20(13)2)19-14-16-5-9(15)6-17-14/h5-7,11,13H,4H2,1-3H3,(H,16,17,19)/t11-,13+/m1/s1
InChIKeyHHYOGYAADBXELY-YPMHNXCESA-N
MW304.33 g/mol
LogP1.04
Rot. Bonds3

About (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one

(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 129004493) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID129004493
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](Nc3ncc(F)cn3)CC(=O)N2C)cnn1C
InChIInChI=1S/C14H17FN6O/c1-8-10(7-18-21(8)3)13-11(4-12(22)20(13)2)19-14-16-5-9(15)6-17-14/h5-7,11,13H,4H2,1-3H3,(H,16,17,19)/t11-,13+/m1/s1
InChIKeyHHYOGYAADBXELY-YPMHNXCESA-N
XLogP1.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one (CID 129004493) is (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one is Cc1c([C@H]2[C@H](Nc3ncc(F)cn3)CC(=O)N2C)cnn1C.
What is the InChIKey of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is HHYOGYAADBXELY-YPMHNXCESA-N. The full InChI is InChI=1S/C14H17FN6O/c1-8-10(7-18-21(8)3)13-11(4-12(22)20(13)2)19-14-16-5-9(15)6-17-14/h5-7,11,13H,4H2,1-3H3,(H,16,17,19)/t11-,13+/m1/s1.
What are the key properties of (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 304.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 129004493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).