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

C14H16FN5O — CID 123688179

IUPAC5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1F
InChIInChI=1S/C14H16FN5O/c15-12-9-17-14(19-13(12)16)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H3,16,17,18,19)
InChIKeyDQFGSGVNSXIWCR-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.78
Rot. Bonds3

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

5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 123688179) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID123688179
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1F
InChIInChI=1S/C14H16FN5O/c15-12-9-17-14(19-13(12)16)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H3,16,17,18,19)
InChIKeyDQFGSGVNSXIWCR-UHFFFAOYSA-N
XLogP1.78
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 123688179) is 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1F.
What is the InChIKey of 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is DQFGSGVNSXIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-12-9-17-14(19-13(12)16)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H3,16,17,18,19).
What are the key properties of 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 289.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123688179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).