N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide

C14H23N5O2 — CID 83105968

IUPACN-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ncnc(NCC)c1C
InChIInChI=1S/C14H23N5O2/c1-4-15-12-10(3)13(18-9-17-12)19-6-7-21-8-11(19)14(20)16-5-2/h9,11H,4-8H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyXNYQEYGHSPWSQI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.56
Rot. Bonds5

About N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide

N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 83105968) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID83105968
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ncnc(NCC)c1C
InChIInChI=1S/C14H23N5O2/c1-4-15-12-10(3)13(18-9-17-12)19-6-7-21-8-11(19)14(20)16-5-2/h9,11H,4-8H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyXNYQEYGHSPWSQI-UHFFFAOYSA-N
XLogP0.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104234
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
N-ethyl-4-[5-methoxy-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104938
N-methyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103916
4-(6-amino-5-ethylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83105787
4-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83104519
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83099249
N-methyl-4-[6-(methylamino)-5-propylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105245
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-ethylmorpholine-3-carboxamide
CID 83105980

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide (CID 83105968) is N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ncnc(NCC)c1C.
What is the InChIKey of N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is XNYQEYGHSPWSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-15-12-10(3)13(18-9-17-12)19-6-7-21-8-11(19)14(20)16-5-2/h9,11H,4-8H2,1-3H3,(H,16,20)(H,15,17,18).
What are the key properties of N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide?
N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83105968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).