N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine

C20H23FN6 — CID 133298868

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nccn1-c1ccc(CNc2cc(N3CCCCC3)ncn2)cc1F
InChIInChI=1S/C20H23FN6/c1-15-22-7-10-27(15)18-6-5-16(11-17(18)21)13-23-19-12-20(25-14-24-19)26-8-3-2-4-9-26/h5-7,10-12,14H,2-4,8-9,13H2,1H3,(H,23,24,25)
InChIKeyVFVVLEHZESFQAA-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.71
Rot. Bonds5

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133298868) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133298868
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nccn1-c1ccc(CNc2cc(N3CCCCC3)ncn2)cc1F
InChIInChI=1S/C20H23FN6/c1-15-22-7-10-27(15)18-6-5-16(11-17(18)21)13-23-19-12-20(25-14-24-19)26-8-3-2-4-9-26/h5-7,10-12,14H,2-4,8-9,13H2,1H3,(H,23,24,25)
InChIKeyVFVVLEHZESFQAA-UHFFFAOYSA-N
XLogP3.71
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918426
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133298860
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119863331
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863330
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409852
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133298868) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine is Cc1nccn1-c1ccc(CNc2cc(N3CCCCC3)ncn2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is VFVVLEHZESFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-15-22-7-10-27(15)18-6-5-16(11-17(18)21)13-23-19-12-20(25-14-24-19)26-8-3-2-4-9-26/h5-7,10-12,14H,2-4,8-9,13H2,1H3,(H,23,24,25).
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133298868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).