4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine

C13H22N4O2 — CID 112638139

IUPAC4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H22N4O2/c1-4-18-12-7-10(2)15-13(16-12)14-8-11-9-17(3)5-6-19-11/h7,11H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyRRHZOKAUNXNNFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds5

About 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine

4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 112638139) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
PubChem CID112638139
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H22N4O2/c1-4-18-12-7-10(2)15-13(16-12)14-8-11-9-17(3)5-6-19-11/h7,11H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyRRHZOKAUNXNNFY-UHFFFAOYSA-N
XLogP0.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine (CID 112638139) is 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine is CCOc1cc(C)nc(NCC2CN(C)CCO2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is RRHZOKAUNXNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-18-12-7-10(2)15-13(16-12)14-8-11-9-17(3)5-6-19-11/h7,11H,4-6,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine?
4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112638139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).