5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C13H22N4O — CID 72873918

IUPAC5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCCc1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C13H22N4O/c1-2-12-10-15-13(16-11-12)14-4-3-5-17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16)
InChIKeyCUYOENLYEHXTGS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.17
Rot. Bonds6

About 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 72873918) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID72873918
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCCc1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C13H22N4O/c1-2-12-10-15-13(16-11-12)14-4-3-5-17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16)
InChIKeyCUYOENLYEHXTGS-UHFFFAOYSA-N
XLogP1.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 72873918) is 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is CCc1cnc(NCCCN2CCOCC2)nc1.
What is the InChIKey of 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is CUYOENLYEHXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-12-10-15-13(16-11-12)14-4-3-5-17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 72873918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).