4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine

C19H18FN5O — CID 56575278

IUPAC4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(Nc3ccc(N4CCCC4)nc3)n2)cc1
InChIInChI=1S/C19H18FN5O/c20-14-3-6-16(7-4-14)26-18-9-10-21-19(24-18)23-15-5-8-17(22-13-15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H,21,23,24)
InChIKeyFDBQGDNQRUNGQX-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.15
Rot. Bonds5

About 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine

4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 56575278) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID56575278
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(Nc3ccc(N4CCCC4)nc3)n2)cc1
InChIInChI=1S/C19H18FN5O/c20-14-3-6-16(7-4-14)26-18-9-10-21-19(24-18)23-15-5-8-17(22-13-15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H,21,23,24)
InChIKeyFDBQGDNQRUNGQX-UHFFFAOYSA-N
XLogP4.15
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine (CID 56575278) is 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine is Fc1ccc(Oc2ccnc(Nc3ccc(N4CCCC4)nc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is FDBQGDNQRUNGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-14-3-6-16(7-4-14)26-18-9-10-21-19(24-18)23-15-5-8-17(22-13-15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H,21,23,24).
What are the key properties of 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 351.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 56575278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).