N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

C17H31N3O — CID 116731705

IUPACN-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCOC(c1nc(C)c(CCNC(C)(C)C)c(C)n1)C(C)C
InChIInChI=1S/C17H31N3O/c1-11(2)15(21-8)16-19-12(3)14(13(4)20-16)9-10-18-17(5,6)7/h11,15,18H,9-10H2,1-8H3
InChIKeyWPFLLAYSBFEKGV-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 116731705) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID116731705
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCOC(c1nc(C)c(CCNC(C)(C)C)c(C)n1)C(C)C
InChIInChI=1S/C17H31N3O/c1-11(2)15(21-8)16-19-12(3)14(13(4)20-16)9-10-18-17(5,6)7/h11,15,18H,9-10H2,1-8H3
InChIKeyWPFLLAYSBFEKGV-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (CID 116731705) is N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is COC(c1nc(C)c(CCNC(C)(C)C)c(C)n1)C(C)C.
What is the InChIKey of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is WPFLLAYSBFEKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11(2)15(21-8)16-19-12(3)14(13(4)20-16)9-10-18-17(5,6)7/h11,15,18H,9-10H2,1-8H3.
What are the key properties of N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116731705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).