2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine

C16H27N3O2 — CID 116778595

IUPAC2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-13-4-7-16(21-3,8-5-13)15-18-9-6-14(19-15)12-17-10-11-20-2/h6,9,13,17H,4-5,7-8,10-12H2,1-3H3
InChIKeyDZZPJYKMNJGHNW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.26
Rot. Bonds7

About 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 116778595) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID116778595
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-13-4-7-16(21-3,8-5-13)15-18-9-6-14(19-15)12-17-10-11-20-2/h6,9,13,17H,4-5,7-8,10-12H2,1-3H3
InChIKeyDZZPJYKMNJGHNW-UHFFFAOYSA-N
XLogP2.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
2-methoxy-N-[[2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 115388786
2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 65403205
2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine
CID 103987965
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 106815497
2-methoxy-N-[[5-(oxan-4-yloxy)-2-pyridinyl]methyl]ethanamine
CID 79794119

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine (CID 116778595) is 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine is COCCNCc1ccnc(C2(OC)CCC(C)CC2)n1.
What is the InChIKey of 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is DZZPJYKMNJGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-4-7-16(21-3,8-5-13)15-18-9-6-14(19-15)12-17-10-11-20-2/h6,9,13,17H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 116778595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).