2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine

C12H19N3O3 — CID 102608853

IUPAC2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC2COC2)nc(COCC)n1
InChIInChI=1S/C12H19N3O3/c1-3-13-10-5-12(18-9-6-17-7-9)15-11(14-10)8-16-4-2/h5,9H,3-4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyLKQBZOUSSWLILT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds7

About 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine

2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine (PubChem CID 102608853) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
PubChem CID102608853
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC2COC2)nc(COCC)n1
InChIInChI=1S/C12H19N3O3/c1-3-13-10-5-12(18-9-6-17-7-9)15-11(14-10)8-16-4-2/h5,9H,3-4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyLKQBZOUSSWLILT-UHFFFAOYSA-N
XLogP1.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-N-methyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608821
N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80942154
N-ethyl-6-(oxetan-3-yloxy)pyridin-2-amine
CID 102608823
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114542162
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198301
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165
N,2-diethyl-6-(2-methylcyclohexyl)oxypyrimidin-4-amine
CID 80941836

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine (CID 102608853) is 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine is CCNc1cc(OC2COC2)nc(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine?
The InChIKey is LKQBZOUSSWLILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-13-10-5-12(18-9-6-17-7-9)15-11(14-10)8-16-4-2/h5,9H,3-4,6-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine?
2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine has a molecular weight of 253.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 102608853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).