N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide

C13H21N5O2 — CID 83104234

IUPACN-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ncnc(NC)c1C
InChIInChI=1S/C13H21N5O2/c1-4-15-13(19)10-7-20-6-5-18(10)12-9(2)11(14-3)16-8-17-12/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyAJJJCSYBKRRTNC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.17
Rot. Bonds4

About N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide

N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 83104234) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID83104234
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ncnc(NC)c1C
InChIInChI=1S/C13H21N5O2/c1-4-15-13(19)10-7-20-6-5-18(10)12-9(2)11(14-3)16-8-17-12/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyAJJJCSYBKRRTNC-UHFFFAOYSA-N
XLogP0.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105968
N-methyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103916
N-ethyl-4-[5-methoxy-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104938
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
4-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83104519
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-(6-amino-5-ethylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83105787
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-ethylmorpholine-3-carboxamide
CID 83105980
N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83099249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide (CID 83104234) is N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ncnc(NC)c1C.
What is the InChIKey of N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is AJJJCSYBKRRTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-15-13(19)10-7-20-6-5-18(10)12-9(2)11(14-3)16-8-17-12/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17).
What are the key properties of N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83104234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).