N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine

C13H21N3O2 — CID 80942154

IUPACN,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCOCC2)nc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-12(14-4-2)9-13(16-11)18-10-5-7-17-8-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyKMDVYSWYJHQXQH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.03
Rot. Bonds5

About N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine

N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine (PubChem CID 80942154) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
PubChem CID80942154
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCOCC2)nc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-12(14-4-2)9-13(16-11)18-10-5-7-17-8-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyKMDVYSWYJHQXQH-UHFFFAOYSA-N
XLogP2.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165
N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine
CID 80873136
N-ethyl-6-(oxan-4-yloxy)pyridin-2-amine
CID 80872431
2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608853
N,2-diethyl-6-(2-methylcyclohexyl)oxypyrimidin-4-amine
CID 80941836
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
[2-ethyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80939554
2-ethyl-N-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80942580
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine (CID 80942154) is N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine is CCNc1cc(OC2CCOCC2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The InChIKey is KMDVYSWYJHQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-15-12(14-4-2)9-13(16-11)18-10-5-7-17-8-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80942154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).