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

C14H16FN5O — CID 80811982

IUPAC5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C14H16FN5O/c15-12-9-17-14(16)19-13(12)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)
InChIKeyNWXKKTKHUJZHEY-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.78
Rot. Bonds3

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

5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 80811982) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID80811982
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C14H16FN5O/c15-12-9-17-14(16)19-13(12)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)
InChIKeyNWXKKTKHUJZHEY-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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Related Compounds

5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80759997
5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
CID 63179447
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2-[3-[[5-fluoro-4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729110
5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
CID 141202702
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 80811982) is 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is NWXKKTKHUJZHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-12-9-17-14(16)19-13(12)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-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
5-fluoro-4-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-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).