5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C16H21FN4O — CID 137338264

IUPAC5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCC(Nc1ncc(F)c(N(C)C)n1)c1ccc(OC)cc1
InChIInChI=1S/C16H21FN4O/c1-5-14(11-6-8-12(22-4)9-7-11)19-16-18-10-13(17)15(20-16)21(2)3/h6-10,14H,5H2,1-4H3,(H,18,19,20)
InChIKeyYKALWJTVECDOGO-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.25
Rot. Bonds6

About 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 137338264) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID137338264
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCC(Nc1ncc(F)c(N(C)C)n1)c1ccc(OC)cc1
InChIInChI=1S/C16H21FN4O/c1-5-14(11-6-8-12(22-4)9-7-11)19-16-18-10-13(17)15(20-16)21(2)3/h6-10,14H,5H2,1-4H3,(H,18,19,20)
InChIKeyYKALWJTVECDOGO-UHFFFAOYSA-N
XLogP3.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
2-bromo-6-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 107598084
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 137338264) is 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCC(Nc1ncc(F)c(N(C)C)n1)c1ccc(OC)cc1.
What is the InChIKey of 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is YKALWJTVECDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-5-14(11-6-8-12(22-4)9-7-11)19-16-18-10-13(17)15(20-16)21(2)3/h6-10,14H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 304.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 137338264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).