5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

C12H20N4O — CID 80780914

IUPAC5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCOCC1C
InChIInChI=1S/C12H20N4O/c1-4-10-11(13-3)14-8-15-12(10)16-5-6-17-7-9(16)2/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyKHWYQULOTQHOIX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.31
Rot. Bonds3

About 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80780914) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
PubChem CID80780914
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCOCC1C
InChIInChI=1S/C12H20N4O/c1-4-10-11(13-3)14-8-15-12(10)16-5-6-17-7-9(16)2/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyKHWYQULOTQHOIX-UHFFFAOYSA-N
XLogP1.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780913
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
[6-(3-methylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80906348
[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
CID 81217134
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80811776
N-methyl-4-[6-(methylamino)-5-propylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105245
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
[6-(2,4-dimethylpiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80907838
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
3,5-dichloro-N-methyl-6-(3-methylmorpholin-4-yl)pyridin-2-amine
CID 102756106

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (CID 80780914) is 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is CCc1c(NC)ncnc1N1CCOCC1C.
What is the InChIKey of 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is KHWYQULOTQHOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-10-11(13-3)14-8-15-12(10)16-5-6-17-7-9(16)2/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80780914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).