5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine

C15H27FN4 — CID 106028826

IUPAC5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCC(CCC)Nc1nc(NCCC)ncc1F
InChIInChI=1S/C15H27FN4/c1-4-7-9-12(8-5-2)19-14-13(16)11-18-15(20-14)17-10-6-3/h11-12H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyUYVSEXQCASMSFK-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.21
Rot. Bonds10

About 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 106028826) has the molecular formula C15H27FN4 and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
PubChem CID106028826
Molecular FormulaC15H27FN4
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCC(CCC)Nc1nc(NCCC)ncc1F
InChIInChI=1S/C15H27FN4/c1-4-7-9-12(8-5-2)19-14-13(16)11-18-15(20-14)17-10-6-3/h11-12H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyUYVSEXQCASMSFK-UHFFFAOYSA-N
XLogP4.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80783214
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine (CID 106028826) is 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine is CCCCC(CCC)Nc1nc(NCCC)ncc1F.
What is the InChIKey of 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UYVSEXQCASMSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN4/c1-4-7-9-12(8-5-2)19-14-13(16)11-18-15(20-14)17-10-6-3/h11-12H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 282.41 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 106028826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).