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

C16H27N3O — CID 116731643

IUPACN-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
SMILESCCC(OC)c1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C16H27N3O/c1-5-15(20-4)16-18-11(2)14(12(3)19-16)7-6-10-17-13-8-9-13/h13,15,17H,5-10H2,1-4H3
InChIKeyRLQNOEBPABKNGG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.88
Rot. Bonds8

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

N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 116731643) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID116731643
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
SMILESCCC(OC)c1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C16H27N3O/c1-5-15(20-4)16-18-11(2)14(12(3)19-16)7-6-10-17-13-8-9-13/h13,15,17H,5-10H2,1-4H3
InChIKeyRLQNOEBPABKNGG-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine (CID 116731643) is N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine is CCC(OC)c1nc(C)c(CCCNC2CC2)c(C)n1.
What is the InChIKey of N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is RLQNOEBPABKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-15(20-4)16-18-11(2)14(12(3)19-16)7-6-10-17-13-8-9-13/h13,15,17H,5-10H2,1-4H3.
What are the key properties of N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine is sourced from PubChem (CID 116731643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).