N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine

C18H27N5 — CID 77088858

IUPACN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCN(C)Cc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C18H27N5/c1-15-19-8-9-23(15)11-10-22(2)14-16-12-20-18(21-13-16)17-6-4-3-5-7-17/h8-9,12-13,17H,3-7,10-11,14H2,1-2H3
InChIKeyNBNXGNCJISCERQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.16
Rot. Bonds6

About N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 77088858) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID77088858
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCN(C)Cc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C18H27N5/c1-15-19-8-9-23(15)11-10-22(2)14-16-12-20-18(21-13-16)17-6-4-3-5-7-17/h8-9,12-13,17H,3-7,10-11,14H2,1-2H3
InChIKeyNBNXGNCJISCERQ-UHFFFAOYSA-N
XLogP3.16
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (CID 77088858) is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is Cc1nccn1CCN(C)Cc1cnc(C2CCCCC2)nc1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is NBNXGNCJISCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-15-19-8-9-23(15)11-10-22(2)14-16-12-20-18(21-13-16)17-6-4-3-5-7-17/h8-9,12-13,17H,3-7,10-11,14H2,1-2H3.
What are the key properties of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 313.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 77088858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).