N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine

C13H20N4O — CID 69447709

IUPACN-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cnc(N2CCOCC2)nc1NC1CC1
InChIInChI=1S/C13H20N4O/c1-2-10-9-14-13(17-5-7-18-8-6-17)16-12(10)15-11-3-4-11/h9,11H,2-8H2,1H3,(H,14,15,16)
InChIKeyWPQMPTMCTIZBHQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds4

About N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine

N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 69447709) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID69447709
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cnc(N2CCOCC2)nc1NC1CC1
InChIInChI=1S/C13H20N4O/c1-2-10-9-14-13(17-5-7-18-8-6-17)16-12(10)15-11-3-4-11/h9,11H,2-8H2,1H3,(H,14,15,16)
InChIKeyWPQMPTMCTIZBHQ-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine (CID 69447709) is N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine is CCc1cnc(N2CCOCC2)nc1NC1CC1.
What is the InChIKey of N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is WPQMPTMCTIZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-10-9-14-13(17-5-7-18-8-6-17)16-12(10)15-11-3-4-11/h9,11H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 69447709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).