2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone

C13H19ClN4O2 — CID 133437153

IUPAC2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
SMILESCCc1c(Cl)nc(C)nc1NCC(=O)N1CCOCC1
InChIInChI=1S/C13H19ClN4O2/c1-3-10-12(14)16-9(2)17-13(10)15-8-11(19)18-4-6-20-7-5-18/h3-8H2,1-2H3,(H,15,16,17)
InChIKeyLARITZRSOBHNSQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.27
Rot. Bonds4

About 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone

2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 133437153) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
PubChem CID133437153
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
SMILESCCc1c(Cl)nc(C)nc1NCC(=O)N1CCOCC1
InChIInChI=1S/C13H19ClN4O2/c1-3-10-12(14)16-9(2)17-13(10)15-8-11(19)18-4-6-20-7-5-18/h3-8H2,1-2H3,(H,15,16,17)
InChIKeyLARITZRSOBHNSQ-UHFFFAOYSA-N
XLogP1.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone (CID 133437153) is 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone is CCc1c(Cl)nc(C)nc1NCC(=O)N1CCOCC1.
What is the InChIKey of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is LARITZRSOBHNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-3-10-12(14)16-9(2)17-13(10)15-8-11(19)18-4-6-20-7-5-18/h3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone?
2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 298.77 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 133437153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).