1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine

C13H21N3O — CID 114206875

IUPAC1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCOCCc1ncc(CNC)c(C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-3-17-7-6-12-15-9-11(8-14-2)13(16-12)10-4-5-10/h9-10,14H,3-8H2,1-2H3
InChIKeyBGWCYGJWDLUYHE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds7

About 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114206875) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID114206875
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCOCCc1ncc(CNC)c(C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-3-17-7-6-12-15-9-11(8-14-2)13(16-12)10-4-5-10/h9-10,14H,3-8H2,1-2H3
InChIKeyBGWCYGJWDLUYHE-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine (CID 114206875) is 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine is CCOCCc1ncc(CNC)c(C2CC2)n1.
What is the InChIKey of 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is BGWCYGJWDLUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-17-7-6-12-15-9-11(8-14-2)13(16-12)10-4-5-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114206875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).