N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C14H25N3O — CID 114206481

IUPACN-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCCC(OC)c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C14H25N3O/c1-6-7-13(18-5)14-16-9-12(11(4)17-14)8-15-10(2)3/h9-10,13,15H,6-8H2,1-5H3
InChIKeyZWUPSRIRXJRAFZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds7

About N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206481) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206481
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCCC(OC)c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C14H25N3O/c1-6-7-13(18-5)14-16-9-12(11(4)17-14)8-15-10(2)3/h9-10,13,15H,6-8H2,1-5H3
InChIKeyZWUPSRIRXJRAFZ-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206482
N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 116731262
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731317
[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
CID 116731217
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206474
1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731307
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185919
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189393
N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-2-amine
CID 83189037

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 114206481) is N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is CCCC(OC)c1ncc(CNC(C)C)c(C)n1.
What is the InChIKey of N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is ZWUPSRIRXJRAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-13(18-5)14-16-9-12(11(4)17-14)8-15-10(2)3/h9-10,13,15H,6-8H2,1-5H3.
What are the key properties of N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).