N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C15H27N3O2 — CID 106667566

IUPACN-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCC(C)(C)OC)nc1C
InChIInChI=1S/C15H27N3O2/c1-6-8-16-10-13-11-17-14(18-12(13)2)20-9-7-15(3,4)19-5/h11,16H,6-10H2,1-5H3
InChIKeyXCNWDDNDBODLAT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.48
Rot. Bonds9

About N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 106667566) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID106667566
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCC(C)(C)OC)nc1C
InChIInChI=1S/C15H27N3O2/c1-6-8-16-10-13-11-17-14(18-12(13)2)20-9-7-15(3,4)19-5/h11,16H,6-10H2,1-5H3
InChIKeyXCNWDDNDBODLAT-UHFFFAOYSA-N
XLogP2.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.48
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-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 115942748
N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189344
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidine-5-carboxylic acid
CID 106665179
2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83188927
N-[[2-(3,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187362

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 106667566) is N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(OCCC(C)(C)OC)nc1C.
What is the InChIKey of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is XCNWDDNDBODLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-8-16-10-13-11-17-14(18-12(13)2)20-9-7-15(3,4)19-5/h11,16H,6-10H2,1-5H3.
What are the key properties of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106667566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).