N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

C15H25N3O — CID 116731657

IUPACN-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCCNCCc1c(C)nc(C2(OC)CCC2)nc1C
InChIInChI=1S/C15H25N3O/c1-5-16-10-7-13-11(2)17-14(18-12(13)3)15(19-4)8-6-9-15/h16H,5-10H2,1-4H3
InChIKeyAWYVKPBSTRWOBW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.27
Rot. Bonds6

About N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (PubChem CID 116731657) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
PubChem CID116731657
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCCNCCc1c(C)nc(C2(OC)CCC2)nc1C
InChIInChI=1S/C15H25N3O/c1-5-16-10-7-13-11(2)17-14(18-12(13)3)15(19-4)8-6-9-15/h16H,5-10H2,1-4H3
InChIKeyAWYVKPBSTRWOBW-UHFFFAOYSA-N
XLogP2.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 104611897
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 104611568
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (CID 116731657) is N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is CCNCCc1c(C)nc(C2(OC)CCC2)nc1C.
What is the InChIKey of N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The InChIKey is AWYVKPBSTRWOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-10-7-13-11(2)17-14(18-12(13)3)15(19-4)8-6-9-15/h16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116731657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).