6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C13H21N3O2 — CID 82453883

IUPAC6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCC2CCCO2)nc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-12(8-13(16-11)17-4-2)14-9-10-6-5-7-18-10/h8,10H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyQHSOEPWBSNEZRA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.03
Rot. Bonds6

About 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82453883) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID82453883
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCC2CCCO2)nc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-12(8-13(16-11)17-4-2)14-9-10-6-5-7-18-10/h8,10H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyQHSOEPWBSNEZRA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456935
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 82453883) is 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCOc1cc(NCC2CCCO2)nc(CC)n1.
What is the InChIKey of 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QHSOEPWBSNEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-15-12(8-13(16-11)17-4-2)14-9-10-6-5-7-18-10/h8,10H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-ethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82453883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).