5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine

C15H19FN4O — CID 80791778

IUPAC5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCOc2ccccc2)n1
InChIInChI=1S/C15H19FN4O/c1-2-8-18-15-19-11-13(16)14(20-15)17-9-10-21-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H2,17,18,19,20)
InChIKeyCKZSAGRRMKQHAL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.93
Rot. Bonds8

About 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80791778) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80791778
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCOc2ccccc2)n1
InChIInChI=1S/C15H19FN4O/c1-2-8-18-15-19-11-13(16)14(20-15)17-9-10-21-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H2,17,18,19,20)
InChIKeyCKZSAGRRMKQHAL-UHFFFAOYSA-N
XLogP2.93
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80794797
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80791778) is 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCCOc2ccccc2)n1.
What is the InChIKey of 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is CKZSAGRRMKQHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-8-18-15-19-11-13(16)14(20-15)17-9-10-21-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.34 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).