(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one

C11H15FN4O — CID 164632969

IUPAC(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@@H](Nc2ncc(F)cn2)CC1=O
InChIInChI=1S/C11H15FN4O/c1-2-3-16-7-9(4-10(16)17)15-11-13-5-8(12)6-14-11/h5-6,9H,2-4,7H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyBPLXSVWOGCDICE-VIFPVBQESA-N
MW238.27 g/mol
LogP1.04
Rot. Bonds4

About (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one

(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one (PubChem CID 164632969) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
PubChem CID164632969
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@@H](Nc2ncc(F)cn2)CC1=O
InChIInChI=1S/C11H15FN4O/c1-2-3-16-7-9(4-10(16)17)15-11-13-5-8(12)6-14-11/h5-6,9H,2-4,7H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyBPLXSVWOGCDICE-VIFPVBQESA-N
XLogP1.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one (CID 164632969) is (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one is CCCN1C[C@@H](Nc2ncc(F)cn2)CC1=O.
What is the InChIKey of (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
The InChIKey is BPLXSVWOGCDICE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15FN4O/c1-2-3-16-7-9(4-10(16)17)15-11-13-5-8(12)6-14-11/h5-6,9H,2-4,7H2,1H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one has a molecular weight of 238.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 164632969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).