N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine

C17H29N3O — CID 116731637

IUPACN-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
SMILESCCOC(CC)c1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C17H29N3O/c1-5-16(21-6-2)17-19-12(3)15(13(4)20-17)8-7-11-18-14-9-10-14/h14,16,18H,5-11H2,1-4H3
InChIKeyUSAUYZOJMRVTRN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.27
Rot. Bonds9

About N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine

N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 116731637) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID116731637
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
SMILESCCOC(CC)c1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C17H29N3O/c1-5-16(21-6-2)17-19-12(3)15(13(4)20-17)8-7-11-18-14-9-10-14/h14,16,18H,5-11H2,1-4H3
InChIKeyUSAUYZOJMRVTRN-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.27
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-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731690
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731696
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731610
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 55113678
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine (CID 116731637) is N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine is CCOC(CC)c1nc(C)c(CCCNC2CC2)c(C)n1.
What is the InChIKey of N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is USAUYZOJMRVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-16(21-6-2)17-19-12(3)15(13(4)20-17)8-7-11-18-14-9-10-14/h14,16,18H,5-11H2,1-4H3.
What are the key properties of N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine is sourced from PubChem (CID 116731637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).