5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine

C11H19FN4O — CID 80773233

IUPAC5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCCOC)n1
InChIInChI=1S/C11H19FN4O/c1-3-5-14-11-15-8-9(12)10(16-11)13-6-4-7-17-2/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyQMLDKKZYZYLBTF-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.89
Rot. Bonds8

About 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80773233) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80773233
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCCOC)n1
InChIInChI=1S/C11H19FN4O/c1-3-5-14-11-15-8-9(12)10(16-11)13-6-4-7-17-2/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyQMLDKKZYZYLBTF-UHFFFAOYSA-N
XLogP1.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.89
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

3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine (CID 80773233) is 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCCCOC)n1.
What is the InChIKey of 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is QMLDKKZYZYLBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-3-5-14-11-15-8-9(12)10(16-11)13-6-4-7-17-2/h8H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 242.30 g/mol, XLogP of 1.89, 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-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80773233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).