N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C16H25N3O2 — CID 83187646

IUPACN-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOC1CCCC(Oc2ncc(CNC3CC3)c(C)n2)C1
InChIInChI=1S/C16H25N3O2/c1-11-12(9-17-13-6-7-13)10-18-16(19-11)21-15-5-3-4-14(8-15)20-2/h10,13-15,17H,3-9H2,1-2H3
InChIKeyREHAFRMEEMBCNE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.37
Rot. Bonds6

About N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83187646) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83187646
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOC1CCCC(Oc2ncc(CNC3CC3)c(C)n2)C1
InChIInChI=1S/C16H25N3O2/c1-11-12(9-17-13-6-7-13)10-18-16(19-11)21-15-5-3-4-14(8-15)20-2/h10,13-15,17H,3-9H2,1-2H3
InChIKeyREHAFRMEEMBCNE-UHFFFAOYSA-N
XLogP2.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 83189345
(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
CID 83184474
5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
CID 116649217
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187374
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186830
1-[4-(3-methoxycyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251176
5-(chloromethyl)-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyrimidine
CID 114341774
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83187646) is N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is COC1CCCC(Oc2ncc(CNC3CC3)c(C)n2)C1.
What is the InChIKey of N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is REHAFRMEEMBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-12(9-17-13-6-7-13)10-18-16(19-11)21-15-5-3-4-14(8-15)20-2/h10,13-15,17H,3-9H2,1-2H3.
What are the key properties of N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 291.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83187646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).