N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C17H29N3O — CID 83186691

IUPACN-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(OCC2CCCCC2)ncc1CNC(C)(C)C
InChIInChI=1S/C17H29N3O/c1-13-15(11-19-17(2,3)4)10-18-16(20-13)21-12-14-8-6-5-7-9-14/h10,14,19H,5-9,11-12H2,1-4H3
InChIKeyRLJYZMDEFODORM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.63
Rot. Bonds5

About N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 83186691) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID83186691
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(OCC2CCCCC2)ncc1CNC(C)(C)C
InChIInChI=1S/C17H29N3O/c1-13-15(11-19-17(2,3)4)10-18-16(20-13)21-12-14-8-6-5-7-9-14/h10,14,19H,5-9,11-12H2,1-4H3
InChIKeyRLJYZMDEFODORM-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 83186691) is N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is Cc1nc(OCC2CCCCC2)ncc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RLJYZMDEFODORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-15(11-19-17(2,3)4)10-18-16(20-13)21-12-14-8-6-5-7-9-14/h10,14,19H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).