N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine

C14H23N3O — CID 83188969

IUPACN-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC2CCCCC2C)nc1C
InChIInChI=1S/C14H23N3O/c1-10-6-4-5-7-13(10)18-14-16-9-12(8-15-3)11(2)17-14/h9-10,13,15H,4-8H2,1-3H3
InChIKeyRUALNNYBOLHCOB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine (PubChem CID 83188969) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
PubChem CID83188969
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC2CCCCC2C)nc1C
InChIInChI=1S/C14H23N3O/c1-10-6-4-5-7-13(10)18-14-16-9-12(8-15-3)11(2)17-14/h9-10,13,15H,4-8H2,1-3H3
InChIKeyRUALNNYBOLHCOB-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(Cyclohexyloxy)propyl]-4-methylpyrimidin-2-amine
CID 72937406
[2-[4-(Trifluoromethyl)pyrimidin-2-yl]oxycyclohexyl]methanamine
CID 65836704
2-methyl-N-[[4-methyl-2-(4,4,4-trifluorobutoxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83187094
2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189234
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189388
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
[4-Methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
CID 83189534
N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
CID 83189766
N-methyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)pyrimidin-5-yl]methanamine
CID 83195828
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 102723105
[4-(Difluoromethyl)-2-(oxan-2-ylmethyl)pyrimidin-5-yl]methanamine
CID 114206152
[4-(Difluoromethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methanamine
CID 114206174

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine (CID 83188969) is N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine is CNCc1cnc(OC2CCCCC2C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
The InChIKey is RUALNNYBOLHCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-4-5-7-13(10)18-14-16-9-12(8-15-3)11(2)17-14/h9-10,13,15H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).