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

C13H23FN4 — CID 80753683

IUPAC4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(NC)ncc1F
InChIInChI=1S/C13H23FN4/c1-4-6-8-18(9-7-5-2)12-11(14)10-16-13(15-3)17-12/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyAZLIVIRJLWJCQN-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.06
Rot. Bonds8

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

4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80753683) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80753683
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(NC)ncc1F
InChIInChI=1S/C13H23FN4/c1-4-6-8-18(9-7-5-2)12-11(14)10-16-13(15-3)17-12/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyAZLIVIRJLWJCQN-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775301
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
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-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851697
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 103192486
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
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
4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
CID 80798941

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80753683) is 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCCCN(CCCC)c1nc(NC)ncc1F.
What is the InChIKey of 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is AZLIVIRJLWJCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-4-6-8-18(9-7-5-2)12-11(14)10-16-13(15-3)17-12/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 254.35 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80753683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).