1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

C15H27N3O3 — CID 60970855

IUPAC1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCc1ccnc(C)n1
InChIInChI=1S/C15H27N3O3/c1-3-4-7-20-8-9-21-12-15(19)11-16-10-14-5-6-17-13(2)18-14/h5-6,15-16,19H,3-4,7-12H2,1-2H3
InChIKeyVCGNJIYMYLBVGW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.07
Rot. Bonds12

About 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (PubChem CID 60970855) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
PubChem CID60970855
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCc1ccnc(C)n1
InChIInChI=1S/C15H27N3O3/c1-3-4-7-20-8-9-21-12-15(19)11-16-10-14-5-6-17-13(2)18-14/h5-6,15-16,19H,3-4,7-12H2,1-2H3
InChIKeyVCGNJIYMYLBVGW-UHFFFAOYSA-N
XLogP1.07
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61013891
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (CID 60970855) is 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is CCCCOCCOCC(O)CNCc1ccnc(C)n1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The InChIKey is VCGNJIYMYLBVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-4-7-20-8-9-21-12-15(19)11-16-10-14-5-6-17-13(2)18-14/h5-6,15-16,19H,3-4,7-12H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 60970855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).