4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C9H15FN4O — CID 80809527

IUPAC4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCCN(CCOC)c1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-3-14(4-5-15-2)8-7(10)6-12-9(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHTURMZDYMSRTBT-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.67
Rot. Bonds5

About 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 80809527) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID80809527
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCCN(CCOC)c1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-3-14(4-5-15-2)8-7(10)6-12-9(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHTURMZDYMSRTBT-UHFFFAOYSA-N
XLogP0.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 143431201
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808590
6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 114074249
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80796019
4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine
CID 80870510
5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80793731
4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 80756179
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 80809527) is 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is CCN(CCOC)c1nc(N)ncc1F.
What is the InChIKey of 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is HTURMZDYMSRTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-3-14(4-5-15-2)8-7(10)6-12-9(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 214.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).