4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine

C14H15FN4O — CID 70690929

IUPAC4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1N1CC[C@H](F)C1
InChIInChI=1S/C14H15FN4O/c1-20-12-8-17-13(11-4-2-3-6-16-11)18-14(12)19-7-5-10(15)9-19/h2-4,6,8,10H,5,7,9H2,1H3/t10-/m0/s1
InChIKeyCESGSYRYOUSULV-JTQLQIEISA-N
MW274.30 g/mol
LogP2.10
Rot. Bonds3

About 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine

4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 70690929) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID70690929
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1N1CC[C@H](F)C1
InChIInChI=1S/C14H15FN4O/c1-20-12-8-17-13(11-4-2-3-6-16-11)18-14(12)19-7-5-10(15)9-19/h2-4,6,8,10H,5,7,9H2,1H3/t10-/m0/s1
InChIKeyCESGSYRYOUSULV-JTQLQIEISA-N
XLogP2.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine (CID 70690929) is 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1N1CC[C@H](F)C1.
What is the InChIKey of 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is CESGSYRYOUSULV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN4O/c1-20-12-8-17-13(11-4-2-3-6-16-11)18-14(12)19-7-5-10(15)9-19/h2-4,6,8,10H,5,7,9H2,1H3/t10-/m0/s1.
What are the key properties of 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine?
4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 274.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 70690929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).