5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C24H27FN6O2 — CID 17313189

IUPAC5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27FN6O2/c25-22-17-26-24(28-19-3-7-21(8-4-19)31-11-15-33-16-12-31)29-23(22)27-18-1-5-20(6-2-18)30-9-13-32-14-10-30/h1-8,17H,9-16H2,(H2,26,27,28,29)
InChIKeyJBFURUYKCUIPSR-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.78
Rot. Bonds6

About 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 17313189) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID17313189
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27FN6O2/c25-22-17-26-24(28-19-3-7-21(8-4-19)31-11-15-33-16-12-31)29-23(22)27-18-1-5-20(6-2-18)30-9-13-32-14-10-30/h1-8,17H,9-16H2,(H2,26,27,28,29)
InChIKeyJBFURUYKCUIPSR-UHFFFAOYSA-N
XLogP3.78
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 17313189) is 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is JBFURUYKCUIPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c25-22-17-26-24(28-19-3-7-21(8-4-19)31-11-15-33-16-12-31)29-23(22)27-18-1-5-20(6-2-18)30-9-13-32-14-10-30/h1-8,17H,9-16H2,(H2,26,27,28,29).
What are the key properties of 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 450.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-bis(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 17313189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).