6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C15H26N4O3 — CID 82456613

IUPAC6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCCN2CCOCC2)nc(COC)n1
InChIInChI=1S/C15H26N4O3/c1-3-22-15-11-13(17-14(18-15)12-20-2)16-5-4-6-19-7-9-21-10-8-19/h11H,3-10,12H2,1-2H3,(H,16,17,18)
InChIKeyKGIJAGLGYSYRRN-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.16
Rot. Bonds9

About 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 82456613) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID82456613
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCCN2CCOCC2)nc(COC)n1
InChIInChI=1S/C15H26N4O3/c1-3-22-15-11-13(17-14(18-15)12-20-2)16-5-4-6-19-7-9-21-10-8-19/h11H,3-10,12H2,1-2H3,(H,16,17,18)
InChIKeyKGIJAGLGYSYRRN-UHFFFAOYSA-N
XLogP1.16
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 82456613) is 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is CCOc1cc(NCCCN2CCOCC2)nc(COC)n1.
What is the InChIKey of 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is KGIJAGLGYSYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-22-15-11-13(17-14(18-15)12-20-2)16-5-4-6-19-7-9-21-10-8-19/h11H,3-10,12H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 82456613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).