3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol

C11H19N3O3 — CID 113401644

IUPAC3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCOCc1nc(NC)cc(OCCCO)n1
InChIInChI=1S/C11H19N3O3/c1-3-16-8-10-13-9(12-2)7-11(14-10)17-6-4-5-15/h7,15H,3-6,8H2,1-2H3,(H,12,13,14)
InChIKeyFHVBAOGNAWEXBV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.82
Rot. Bonds8

About 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol

3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 113401644) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID113401644
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCOCc1nc(NC)cc(OCCCO)n1
InChIInChI=1S/C11H19N3O3/c1-3-16-8-10-13-9(12-2)7-11(14-10)17-6-4-5-15/h7,15H,3-6,8H2,1-2H3,(H,12,13,14)
InChIKeyFHVBAOGNAWEXBV-UHFFFAOYSA-N
XLogP0.82
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 102741308
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941132
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80941741
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol (CID 113401644) is 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol is CCOCc1nc(NC)cc(OCCCO)n1.
What is the InChIKey of 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is FHVBAOGNAWEXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-16-8-10-13-9(12-2)7-11(14-10)17-6-4-5-15/h7,15H,3-6,8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 113401644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).