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

C16H27N3O — CID 116731669

IUPACN-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(C2(OC)CCC2)nc1C
InChIInChI=1S/C16H27N3O/c1-5-10-17-11-7-14-12(2)18-15(19-13(14)3)16(20-4)8-6-9-16/h17H,5-11H2,1-4H3
InChIKeyIFZPPABDNOMEKM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.66
Rot. Bonds7

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

N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 116731669) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID116731669
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(C2(OC)CCC2)nc1C
InChIInChI=1S/C16H27N3O/c1-5-10-17-11-7-14-12(2)18-15(19-13(14)3)16(20-4)8-6-9-16/h17H,5-11H2,1-4H3
InChIKeyIFZPPABDNOMEKM-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.66
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-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731657
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
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]ethanamine
CID 104611900
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 80685788
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
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine (CID 116731669) is N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(C2(OC)CCC2)nc1C.
What is the InChIKey of N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is IFZPPABDNOMEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-10-17-11-7-14-12(2)18-15(19-13(14)3)16(20-4)8-6-9-16/h17H,5-11H2,1-4H3.
What are the key properties of N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 116731669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).