1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

C16H23N5 — CID 56710655

IUPAC1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cnc(C2CCCCC2)nc1)Cc1ncc[nH]1
InChIInChI=1S/C16H23N5/c1-21(12-15-17-7-8-18-15)11-13-9-19-16(20-10-13)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyUIIDZGOTFNGNJK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (PubChem CID 56710655) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
PubChem CID56710655
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cnc(C2CCCCC2)nc1)Cc1ncc[nH]1
InChIInChI=1S/C16H23N5/c1-21(12-15-17-7-8-18-15)11-13-9-19-16(20-10-13)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyUIIDZGOTFNGNJK-UHFFFAOYSA-N
XLogP2.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (CID 56710655) is 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is CN(Cc1cnc(C2CCCCC2)nc1)Cc1ncc[nH]1.
What is the InChIKey of 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The InChIKey is UIIDZGOTFNGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-21(12-15-17-7-8-18-15)11-13-9-19-16(20-10-13)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18).
What are the key properties of 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 56710655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).