6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine

C12H19IN4S — CID 106445757

IUPAC6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
SMILESCCc1nc(C2CSCCN2C)nc(NC)c1I
InChIInChI=1S/C12H19IN4S/c1-4-8-10(13)12(14-2)16-11(15-8)9-7-18-6-5-17(9)3/h9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLSHFOMCKJFGFGC-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.40
Rot. Bonds3

About 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine

6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine (PubChem CID 106445757) has the molecular formula C12H19IN4S and a molecular weight of 378.28 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
PubChem CID106445757
Molecular FormulaC12H19IN4S
Molecular Weight378.28 g/mol
Exact Mass378.04
IUPAC Name6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
SMILESCCc1nc(C2CSCCN2C)nc(NC)c1I
InChIInChI=1S/C12H19IN4S/c1-4-8-10(13)12(14-2)16-11(15-8)9-7-18-6-5-17(9)3/h9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLSHFOMCKJFGFGC-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
CID 106445977
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
CID 106445744
3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
CID 114206031
N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445673
3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
CID 106446173
6-ethyl-5-iodo-N-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79658035
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299871
2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472557
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106446176

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine (CID 106445757) is 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine is CCc1nc(C2CSCCN2C)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
The InChIKey is LSHFOMCKJFGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4S/c1-4-8-10(13)12(14-2)16-11(15-8)9-7-18-6-5-17(9)3/h9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine has a molecular weight of 378.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106445757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).