4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine

C11H19FN4O — CID 80814766

IUPAC4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCN(c1nc(NC)ncc1F)C(C)COC
InChIInChI=1S/C11H19FN4O/c1-5-16(8(2)7-17-4)10-9(12)6-14-11(13-3)15-10/h6,8H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyJCSNGQLJLAUXIS-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.52
Rot. Bonds6

About 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine

4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80814766) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80814766
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCN(c1nc(NC)ncc1F)C(C)COC
InChIInChI=1S/C11H19FN4O/c1-5-16(8(2)7-17-4)10-9(12)6-14-11(13-3)15-10/h6,8H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyJCSNGQLJLAUXIS-UHFFFAOYSA-N
XLogP1.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80786999
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
CID 80815675
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine (CID 80814766) is 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine is CCN(c1nc(NC)ncc1F)C(C)COC.
What is the InChIKey of 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is JCSNGQLJLAUXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-5-16(8(2)7-17-4)10-9(12)6-14-11(13-3)15-10/h6,8H,5,7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 242.30 g/mol, XLogP of 1.52, 6 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-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80814766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).