4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine

C16H18FN3O3 — CID 177308138

IUPAC4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine
SMILESCOc1cc(OC)cc(Oc2ccnc(N3CC[C@@H](F)C3)n2)c1
InChIInChI=1S/C16H18FN3O3/c1-21-12-7-13(22-2)9-14(8-12)23-15-3-5-18-16(19-15)20-6-4-11(17)10-20/h3,5,7-9,11H,4,6,10H2,1-2H3/t11-/m1/s1
InChIKeyWSFFSPSEGKFMTC-LLVKDONJSA-N
MW319.34 g/mol
LogP2.83
Rot. Bonds5

About 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine

4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine (PubChem CID 177308138) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine
PubChem CID177308138
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine
SMILESCOc1cc(OC)cc(Oc2ccnc(N3CC[C@@H](F)C3)n2)c1
InChIInChI=1S/C16H18FN3O3/c1-21-12-7-13(22-2)9-14(8-12)23-15-3-5-18-16(19-15)20-6-4-11(17)10-20/h3,5,7-9,11H,4,6,10H2,1-2H3/t11-/m1/s1
InChIKeyWSFFSPSEGKFMTC-LLVKDONJSA-N
XLogP2.83
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine (CID 177308138) is 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine is COc1cc(OC)cc(Oc2ccnc(N3CC[C@@H](F)C3)n2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine?
The InChIKey is WSFFSPSEGKFMTC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-21-12-7-13(22-2)9-14(8-12)23-15-3-5-18-16(19-15)20-6-4-11(17)10-20/h3,5,7-9,11H,4,6,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine?
4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine has a molecular weight of 319.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenoxy)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 177308138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).