2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C14H15F2N5O — CID 89406605

IUPAC2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(NF)nc(F)c1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H15F2N5O/c15-12-11(13(17)19-14(18-12)20-16)9-1-3-10(4-2-9)21-5-7-22-8-6-21/h1-4H,5-8H2,(H3,17,18,19,20)
InChIKeyHDODJJPOXWNTSY-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.00
Rot. Bonds3

About 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 89406605) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID89406605
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(NF)nc(F)c1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H15F2N5O/c15-12-11(13(17)19-14(18-12)20-16)9-1-3-10(4-2-9)21-5-7-22-8-6-21/h1-4H,5-8H2,(H3,17,18,19,20)
InChIKeyHDODJJPOXWNTSY-UHFFFAOYSA-N
XLogP2.00
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 89406605) is 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Nc1nc(NF)nc(F)c1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HDODJJPOXWNTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c15-12-11(13(17)19-14(18-12)20-16)9-1-3-10(4-2-9)21-5-7-22-8-6-21/h1-4H,5-8H2,(H3,17,18,19,20).
What are the key properties of 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 307.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 89406605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).