1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine

C18H26N4O — CID 77092811

IUPAC1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1noc(C)c1CN(C)Cc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C18H26N4O/c1-13-17(14(2)23-21-13)12-22(3)11-15-9-19-18(20-10-15)16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3
InChIKeyZFTRGRSESPCQGR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine

1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 77092811) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
PubChem CID77092811
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1noc(C)c1CN(C)Cc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C18H26N4O/c1-13-17(14(2)23-21-13)12-22(3)11-15-9-19-18(20-10-15)16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3
InChIKeyZFTRGRSESPCQGR-UHFFFAOYSA-N
XLogP3.76
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine with MolForge

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Related Compounds

1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91835412
1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77085902
1-(3-cyclohexylimidazol-4-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91837101
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
CID 99928236
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 47006556
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
5-(chloromethyl)-2-cyclohexylpyrimidine
CID 62755900
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509408
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine (CID 77092811) is 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine is Cc1noc(C)c1CN(C)Cc1cnc(C2CCCCC2)nc1.
What is the InChIKey of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is ZFTRGRSESPCQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-17(14(2)23-21-13)12-22(3)11-15-9-19-18(20-10-15)16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 314.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77092811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).