6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine

C13H24N4O — CID 80941359

IUPAC6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(OCCCN(C)C)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-11-15-12(14-6-2)10-13(16-11)18-9-7-8-17(3)4/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyLVCKIRHYPBMZJX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.80
Rot. Bonds8

About 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine

6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine (PubChem CID 80941359) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
PubChem CID80941359
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(OCCCN(C)C)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-11-15-12(14-6-2)10-13(16-11)18-9-7-8-17(3)4/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyLVCKIRHYPBMZJX-UHFFFAOYSA-N
XLogP1.80
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
CID 80941264
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine (CID 80941359) is 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine is CCNc1cc(OCCCN(C)C)nc(CC)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine?
The InChIKey is LVCKIRHYPBMZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-15-12(14-6-2)10-13(16-11)18-9-7-8-17(3)4/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine?
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).