2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine

C16H28N4S — CID 106445977

IUPAC2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(C2CSCCN2C)nc(CC)c1CCNC
InChIInChI=1S/C16H28N4S/c1-5-13-12(7-8-17-3)14(6-2)19-16(18-13)15-11-21-10-9-20(15)4/h15,17H,5-11H2,1-4H3
InChIKeyKYJUYQDGRHAZQH-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.08
Rot. Bonds6

About 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 106445977) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID106445977
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(C2CSCCN2C)nc(CC)c1CCNC
InChIInChI=1S/C16H28N4S/c1-5-13-12(7-8-17-3)14(6-2)19-16(18-13)15-11-21-10-9-20(15)4/h15,17H,5-11H2,1-4H3
InChIKeyKYJUYQDGRHAZQH-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
CID 106445757
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
CID 106445744
[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
CID 114206031
N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 106445969
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106446176
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472557
3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445673
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 106445974
ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
CID 106445642
[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol
CID 106445941

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine (CID 106445977) is 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine is CCc1nc(C2CSCCN2C)nc(CC)c1CCNC.
What is the InChIKey of 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is KYJUYQDGRHAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-5-13-12(7-8-17-3)14(6-2)19-16(18-13)15-11-21-10-9-20(15)4/h15,17H,5-11H2,1-4H3.
What are the key properties of 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 308.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 106445977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).