5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine

C15H21FN6 — CID 50958561

IUPAC5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC(Cn3ccnc3)CC2)ncc1F
InChIInChI=1S/C15H21FN6/c1-20(2)14-13(16)9-18-15(19-14)22-6-3-12(4-7-22)10-21-8-5-17-11-21/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyJZUQMONYGHNHML-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.79
Rot. Bonds4

About 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine

5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 50958561) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID50958561
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC(Cn3ccnc3)CC2)ncc1F
InChIInChI=1S/C15H21FN6/c1-20(2)14-13(16)9-18-15(19-14)22-6-3-12(4-7-22)10-21-8-5-17-11-21/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyJZUQMONYGHNHML-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
4-(2-Methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54584343
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
2-(2-Methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54581398
2-[1-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468235
Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-piperidinyl)-, monohydrochloride
CID 3071751
Pyrimidine, 2-(1H-imidazol-1-yl)-4-(1-piperidinyl)-, monohydrochloride
CID 3071759
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
4-(2-Methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 54584344
N,N-dimethyl-5-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}methyl)-2-pyrimidinamine
CID 70717289

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 50958561) is 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(N2CCC(Cn3ccnc3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is JZUQMONYGHNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c1-20(2)14-13(16)9-18-15(19-14)22-6-3-12(4-7-22)10-21-8-5-17-11-21/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3.
What are the key properties of 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 304.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 50958561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).