(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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Related Compounds

5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986
N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 6625249
1-Ethyl-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50950250
1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081162
5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 53503785
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 137349434
N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959348
5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-N-ethyl-2-pyrimidinamine
CID 72888290
1-{3-[(5-Ethylpyrimidin-2-YL)amino]propyl}pyrrolidin-2-one
CID 72902049

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).