5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine

C11H18FN5 — CID 114045681

IUPAC5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
SMILESCc1ncnc(NCCN2CCNCC2)c1F
InChIInChI=1S/C11H18FN5/c1-9-10(12)11(16-8-15-9)14-4-7-17-5-2-13-3-6-17/h8,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyMWVIWIJEVNNUJD-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.24
Rot. Bonds4

About 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine (PubChem CID 114045681) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
PubChem CID114045681
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
SMILESCc1ncnc(NCCN2CCNCC2)c1F
InChIInChI=1S/C11H18FN5/c1-9-10(12)11(16-8-15-9)14-4-7-17-5-2-13-3-6-17/h8,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyMWVIWIJEVNNUJD-UHFFFAOYSA-N
XLogP0.24
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 66325131
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one
CID 62938349
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
CID 61241307
5-fluoro-6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 103644661
3-(2-piperazin-1-ylethylamino)pyrazine-2-carbonitrile
CID 62671831
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 43600403
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine (CID 114045681) is 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine is Cc1ncnc(NCCN2CCNCC2)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is MWVIWIJEVNNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-9-10(12)11(16-8-15-9)14-4-7-17-5-2-13-3-6-17/h8,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 239.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 114045681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).