N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine

C13H23N3O — CID 55163158

IUPACN-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine
SMILESCCCc1cc(CC(COC)NCC)ncn1
InChIInChI=1S/C13H23N3O/c1-4-6-11-7-12(16-10-15-11)8-13(9-17-3)14-5-2/h7,10,13-14H,4-6,8-9H2,1-3H3
InChIKeyMVNOEUJAHHFFMV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.60
Rot. Bonds8

About N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine

N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine (PubChem CID 55163158) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine
PubChem CID55163158
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine
SMILESCCCc1cc(CC(COC)NCC)ncn1
InChIInChI=1S/C13H23N3O/c1-4-6-11-7-12(16-10-15-11)8-13(9-17-3)14-5-2/h7,10,13-14H,4-6,8-9H2,1-3H3
InChIKeyMVNOEUJAHHFFMV-UHFFFAOYSA-N
XLogP1.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine (CID 55163158) is N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine is CCCc1cc(CC(COC)NCC)ncn1.
What is the InChIKey of N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine?
The InChIKey is MVNOEUJAHHFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-11-7-12(16-10-15-11)8-13(9-17-3)14-5-2/h7,10,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(6-propylpyrimidin-4-yl)propan-2-amine is sourced from PubChem (CID 55163158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).