5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine

C11H19FN4 — CID 80775301

IUPAC5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1nc(NC)ncc1F)C(C)C
InChIInChI=1S/C11H19FN4/c1-5-6-16(8(2)3)10-9(12)7-14-11(13-4)15-10/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyIRWLGCCGYYCDBN-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.28
Rot. Bonds5

About 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80775301) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80775301
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1nc(NC)ncc1F)C(C)C
InChIInChI=1S/C11H19FN4/c1-5-6-16(8(2)3)10-9(12)7-14-11(13-4)15-10/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyIRWLGCCGYYCDBN-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80810772
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80814766
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80786999

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine (CID 80775301) is 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine is CCCN(c1nc(NC)ncc1F)C(C)C.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is IRWLGCCGYYCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-5-6-16(8(2)3)10-9(12)7-14-11(13-4)15-10/h7-8H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 226.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80775301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).