(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide

C11H15FN4O — CID 164629934

IUPAC(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1ncnc(N2CC[C@H](C(N)=O)C2)c1F
InChIInChI=1S/C11H15FN4O/c1-2-8-9(12)11(15-6-14-8)16-4-3-7(5-16)10(13)17/h6-7H,2-5H2,1H3,(H2,13,17)/t7-/m0/s1
InChIKeyYCLRTRNHQJVYNB-ZETCQYMHSA-N
MW238.27 g/mol
LogP0.49
Rot. Bonds3

About (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide

(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 164629934) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID164629934
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1ncnc(N2CC[C@H](C(N)=O)C2)c1F
InChIInChI=1S/C11H15FN4O/c1-2-8-9(12)11(15-6-14-8)16-4-3-7(5-16)10(13)17/h6-7H,2-5H2,1H3,(H2,13,17)/t7-/m0/s1
InChIKeyYCLRTRNHQJVYNB-ZETCQYMHSA-N
XLogP0.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 164629934) is (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide is CCc1ncnc(N2CC[C@H](C(N)=O)C2)c1F.
What is the InChIKey of (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is YCLRTRNHQJVYNB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-2-8-9(12)11(15-6-14-8)16-4-3-7(5-16)10(13)17/h6-7H,2-5H2,1H3,(H2,13,17)/t7-/m0/s1.
What are the key properties of (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide?
(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164629934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).