5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

C12H17FN6 — CID 135106368

IUPAC5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCCn2ccnc2)ncc1F
InChIInChI=1S/C12H17FN6/c1-18(2)11-10(13)8-16-12(17-11)15-4-3-6-19-7-5-14-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyDSWBVQDKYJPTRS-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.38
Rot. Bonds6

About 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 135106368) has the molecular formula C12H17FN6 and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID135106368
Molecular FormulaC12H17FN6
Molecular Weight264.31 g/mol
Exact Mass264.15
IUPAC Name5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCCn2ccnc2)ncc1F
InChIInChI=1S/C12H17FN6/c1-18(2)11-10(13)8-16-12(17-11)15-4-3-6-19-7-5-14-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyDSWBVQDKYJPTRS-UHFFFAOYSA-N
XLogP1.38
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
1-[2-(3-imidazol-1-ylpropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 72892657
5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 102536401
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine
CID 172881986
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 135106368) is 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(NCCCn2ccnc2)ncc1F.
What is the InChIKey of 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is DSWBVQDKYJPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN6/c1-18(2)11-10(13)8-16-12(17-11)15-4-3-6-19-7-5-14-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 264.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135106368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).