4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine

C9H12FN3O — CID 171700808

IUPAC4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(F)C2)ncn1
InChIInChI=1S/C9H12FN3O/c1-14-9-4-8(11-6-12-9)13-3-2-7(10)5-13/h4,6-7H,2-3,5H2,1H3
InChIKeyWKKJPVMILVVKOW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.03
Rot. Bonds2

About 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine

4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine (PubChem CID 171700808) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine
PubChem CID171700808
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(F)C2)ncn1
InChIInChI=1S/C9H12FN3O/c1-14-9-4-8(11-6-12-9)13-3-2-7(10)5-13/h4,6-7H,2-3,5H2,1H3
InChIKeyWKKJPVMILVVKOW-UHFFFAOYSA-N
XLogP1.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine?
The IUPAC name of 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine (CID 171700808) is 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine?
The canonical SMILES for 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine is COc1cc(N2CCC(F)C2)ncn1.
What is the InChIKey of 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine?
The InChIKey is WKKJPVMILVVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-14-9-4-8(11-6-12-9)13-3-2-7(10)5-13/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine?
4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine has a molecular weight of 197.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrrolidin-1-yl)-6-methoxypyrimidine is sourced from PubChem (CID 171700808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).