5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C11H15FN6 — CID 135117540

IUPAC5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2cnc[nH]2)ncc1F
InChIInChI=1S/C11H15FN6/c1-18(2)10-9(12)6-15-11(17-10)14-4-3-8-5-13-7-16-8/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyPPEMUYBOAZBSEZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.06
Rot. Bonds5

About 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 135117540) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID135117540
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2cnc[nH]2)ncc1F
InChIInChI=1S/C11H15FN6/c1-18(2)10-9(12)6-15-11(17-10)14-4-3-8-5-13-7-16-8/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyPPEMUYBOAZBSEZ-UHFFFAOYSA-N
XLogP1.06
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 137334463
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368
N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638009
N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865738
(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
CID 125441184
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrimidine-2,4-diamine
CID 72877914
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 171061588
2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 137341603

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 135117540) is 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(NCCc2cnc[nH]2)ncc1F.
What is the InChIKey of 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is PPEMUYBOAZBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-18(2)10-9(12)6-15-11(17-10)14-4-3-8-5-13-7-16-8/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135117540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).