2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone

C11H15ClN4O2 — CID 113406418

IUPAC2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
SMILESCc1cc(NCC(=O)N2CCOCC2)nc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-8-6-9(15-11(12)14-8)13-7-10(17)16-2-4-18-5-3-16/h6H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyLZEMPMZDURYJBN-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.71
Rot. Bonds3

About 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 113406418) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
PubChem CID113406418
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
SMILESCc1cc(NCC(=O)N2CCOCC2)nc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-8-6-9(15-11(12)14-8)13-7-10(17)16-2-4-18-5-3-16/h6H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyLZEMPMZDURYJBN-UHFFFAOYSA-N
XLogP0.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone (CID 113406418) is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone is Cc1cc(NCC(=O)N2CCOCC2)nc(Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is LZEMPMZDURYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-8-6-9(15-11(12)14-8)13-7-10(17)16-2-4-18-5-3-16/h6H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 270.72 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 113406418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).