N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide

C15H22N4O3 — CID 90491744

IUPACN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
SMILESCc1nc(OCCNC(=O)C2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H22N4O3/c1-11-17-13(19-5-8-21-9-6-19)10-14(18-11)22-7-4-16-15(20)12-2-3-12/h10,12H,2-9H2,1H3,(H,16,20)
InChIKeyHJXQOWDNTZCECW-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.53
Rot. Bonds6

About N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide

N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide (PubChem CID 90491744) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
PubChem CID90491744
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
SMILESCc1nc(OCCNC(=O)C2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H22N4O3/c1-11-17-13(19-5-8-21-9-6-19)10-14(18-11)22-7-4-16-15(20)12-2-3-12/h10,12H,2-9H2,1H3,(H,16,20)
InChIKeyHJXQOWDNTZCECW-UHFFFAOYSA-N
XLogP0.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide (CID 90491744) is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide is Cc1nc(OCCNC(=O)C2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide?
The InChIKey is HJXQOWDNTZCECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-17-13(19-5-8-21-9-6-19)10-14(18-11)22-7-4-16-15(20)12-2-3-12/h10,12H,2-9H2,1H3,(H,16,20).
What are the key properties of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide?
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide is sourced from PubChem (CID 90491744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).