N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine

C21H32N6 — CID 46980495

IUPACN-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine
SMILESCC1CCN(c2ncc(-c3cncn3CCN(C)C3CCCC3)cn2)CC1
InChIInChI=1S/C21H32N6/c1-17-7-9-26(10-8-17)21-23-13-18(14-24-21)20-15-22-16-27(20)12-11-25(2)19-5-3-4-6-19/h13-17,19H,3-12H2,1-2H3
InChIKeyQLKHGPTWHCFXSI-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine

N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine (PubChem CID 46980495) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine
PubChem CID46980495
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC NameN-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine
SMILESCC1CCN(c2ncc(-c3cncn3CCN(C)C3CCCC3)cn2)CC1
InChIInChI=1S/C21H32N6/c1-17-7-9-26(10-8-17)21-23-13-18(14-24-21)20-15-22-16-27(20)12-11-25(2)19-5-3-4-6-19/h13-17,19H,3-12H2,1-2H3
InChIKeyQLKHGPTWHCFXSI-UHFFFAOYSA-N
XLogP3.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine (CID 46980495) is N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine is CC1CCN(c2ncc(-c3cncn3CCN(C)C3CCCC3)cn2)CC1.
What is the InChIKey of N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine?
The InChIKey is QLKHGPTWHCFXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-17-7-9-26(10-8-17)21-23-13-18(14-24-21)20-15-22-16-27(20)12-11-25(2)19-5-3-4-6-19/h13-17,19H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine?
N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine has a molecular weight of 368.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 46980495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).