4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C9H15FN4 — CID 80767009

IUPAC4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(NC)ncc1F
InChIInChI=1S/C9H15FN4/c1-4-14(5-2)8-7(10)6-12-9(11-3)13-8/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyVOBAQVDVGFSQIW-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.50
Rot. Bonds4

About 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80767009) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80767009
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(NC)ncc1F
InChIInChI=1S/C9H15FN4/c1-4-14(5-2)8-7(10)6-12-9(11-3)13-8/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyVOBAQVDVGFSQIW-UHFFFAOYSA-N
XLogP1.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851697
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 103192486
5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775301
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80814766
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
4-N-ethyl-2-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815496
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80799829
5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80817456

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80767009) is 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCN(CC)c1nc(NC)ncc1F.
What is the InChIKey of 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VOBAQVDVGFSQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-4-14(5-2)8-7(10)6-12-9(11-3)13-8/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80767009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).