4-butyl-5-fluoro-N-propylpyrimidin-2-amine

C11H18FN3 — CID 106659320

IUPAC4-butyl-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCCc1nc(NCCC)ncc1F
InChIInChI=1S/C11H18FN3/c1-3-5-6-10-9(12)8-14-11(15-10)13-7-4-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGBPURUVNDYPTFU-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.78
Rot. Bonds6

About 4-butyl-5-fluoro-N-propylpyrimidin-2-amine

4-butyl-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 106659320) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-butyl-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butyl-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID106659320
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-butyl-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCCc1nc(NCCC)ncc1F
InChIInChI=1S/C11H18FN3/c1-3-5-6-10-9(12)8-14-11(15-10)13-7-4-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGBPURUVNDYPTFU-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
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
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine (CID 106659320) is 4-butyl-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-butyl-5-fluoro-N-propylpyrimidin-2-amine is CCCCc1nc(NCCC)ncc1F.
What is the InChIKey of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is GBPURUVNDYPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-3-5-6-10-9(12)8-14-11(15-10)13-7-4-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
4-butyl-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106659320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).