N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine

C20H24N6 — CID 154782534

IUPACN,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)ncn1
InChIInChI=1S/C20H24N6/c1-25(2)18-11-19(23-14-22-18)26-10-6-9-16(13-26)20-21-12-17(24-20)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyZFCRSCUPMKGPBS-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.32
Rot. Bonds4

About N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 154782534) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID154782534
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)ncn1
InChIInChI=1S/C20H24N6/c1-25(2)18-11-19(23-14-22-18)26-10-6-9-16(13-26)20-21-12-17(24-20)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyZFCRSCUPMKGPBS-UHFFFAOYSA-N
XLogP3.32
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine (CID 154782534) is N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine is CN(C)c1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)ncn1.
What is the InChIKey of N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZFCRSCUPMKGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-25(2)18-11-19(23-14-22-18)26-10-6-9-16(13-26)20-21-12-17(24-20)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 154782534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).