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

C13H21N5O2 — CID 83104376

IUPAC4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
SMILESCCc1c(NC)ncnc1N1CCOCC1C(=O)NC
InChIInChI=1S/C13H21N5O2/c1-4-9-11(14-2)16-8-17-12(9)18-5-6-20-7-10(18)13(19)15-3/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyTUVRLVVODXVZMQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.03
Rot. Bonds4

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

4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide (PubChem CID 83104376) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
PubChem CID83104376
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
SMILESCCc1c(NC)ncnc1N1CCOCC1C(=O)NC
InChIInChI=1S/C13H21N5O2/c1-4-9-11(14-2)16-8-17-12(9)18-5-6-20-7-10(18)13(19)15-3/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyTUVRLVVODXVZMQ-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
N-methyl-4-[6-(methylamino)-5-propylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105245
N-methyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103916
5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780914
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104234
4-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83104519
4-(6-amino-5-ethylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83105787
N-ethyl-4-[5-methoxy-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104938
4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
CID 114214594
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472
N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105968

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide (CID 83104376) is 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide is CCc1c(NC)ncnc1N1CCOCC1C(=O)NC.
What is the InChIKey of 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide?
The InChIKey is TUVRLVVODXVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-9-11(14-2)16-8-17-12(9)18-5-6-20-7-10(18)13(19)15-3/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17).
What are the key properties of 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide?
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83104376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).