4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine

C20H19FN4O — CID 56575580

IUPAC4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(Nc3ccc(N4CCCC4)cc3)n2)cc1
InChIInChI=1S/C20H19FN4O/c21-15-3-9-18(10-4-15)26-19-11-12-22-20(24-19)23-16-5-7-17(8-6-16)25-13-1-2-14-25/h3-12H,1-2,13-14H2,(H,22,23,24)
InChIKeyZKCBFOWEKLKWGD-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.75
Rot. Bonds5

About 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine

4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine (PubChem CID 56575580) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
PubChem CID56575580
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(Nc3ccc(N4CCCC4)cc3)n2)cc1
InChIInChI=1S/C20H19FN4O/c21-15-3-9-18(10-4-15)26-19-11-12-22-20(24-19)23-16-5-7-17(8-6-16)25-13-1-2-14-25/h3-12H,1-2,13-14H2,(H,22,23,24)
InChIKeyZKCBFOWEKLKWGD-UHFFFAOYSA-N
XLogP4.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 56575278
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
CID 56575483
4-(4-fluorophenoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 56574268
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
4-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]piperazin-2-one
CID 56575228
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine (CID 56575580) is 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine is Fc1ccc(Oc2ccnc(Nc3ccc(N4CCCC4)cc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine?
The InChIKey is ZKCBFOWEKLKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-3-9-18(10-4-15)26-19-11-12-22-20(24-19)23-16-5-7-17(8-6-16)25-13-1-2-14-25/h3-12H,1-2,13-14H2,(H,22,23,24).
What are the key properties of 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine has a molecular weight of 350.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 56575580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).