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

C13H23FN4O — CID 80819043

IUPAC4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCOCCNc1nc(NCCC)ncc1F
InChIInChI=1S/C13H23FN4O/c1-3-5-8-19-9-7-15-12-11(14)10-17-13(18-12)16-6-4-2/h10H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVZRKVUCPGKBZAE-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.67
Rot. Bonds10

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

4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80819043) has the molecular formula C13H23FN4O and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80819043
Molecular FormulaC13H23FN4O
Molecular Weight270.35 g/mol
Exact Mass270.19
IUPAC Name4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCOCCNc1nc(NCCC)ncc1F
InChIInChI=1S/C13H23FN4O/c1-3-5-8-19-9-7-15-12-11(14)10-17-13(18-12)16-6-4-2/h10H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVZRKVUCPGKBZAE-UHFFFAOYSA-N
XLogP2.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.67
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
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
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
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
5-fluoro-2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 80846653
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
5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814220

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80819043) is 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCCOCCNc1nc(NCCC)ncc1F.
What is the InChIKey of 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VZRKVUCPGKBZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O/c1-3-5-8-19-9-7-15-12-11(14)10-17-13(18-12)16-6-4-2/h10H,3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 270.35 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80819043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).