N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine

C13H21N3O2 — CID 80941165

IUPACN,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC2CCOC2)nc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-12(14-4-2)7-13(16-11)18-9-10-5-6-17-8-10/h7,10H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyIQRKVMBHISXVLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds6

About N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine

N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine (PubChem CID 80941165) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
PubChem CID80941165
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC2CCOC2)nc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-12(14-4-2)7-13(16-11)18-9-10-5-6-17-8-10/h7,10H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyIQRKVMBHISXVLC-UHFFFAOYSA-N
XLogP1.89
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80942154
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987795
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
CID 113379634
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
CID 80941264
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82453883
N,2-diethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80941958
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
N,2-diethyl-6-(2-methylcyclohexyl)oxypyrimidin-4-amine
CID 80941836

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine (CID 80941165) is N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine is CCNc1cc(OCC2CCOC2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine?
The InChIKey is IQRKVMBHISXVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-15-12(14-4-2)7-13(16-11)18-9-10-5-6-17-8-10/h7,10H,3-6,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine?
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80941165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).