5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine

C12H19IN4S — CID 106445744

IUPAC5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2CSCCN2C)nc(N)c1I
InChIInChI=1S/C12H19IN4S/c1-3-4-8-10(13)11(14)16-12(15-8)9-7-18-6-5-17(9)2/h9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyBRKMWOOQJFAYLP-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.34
Rot. Bonds3

About 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine

5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine (PubChem CID 106445744) has the molecular formula C12H19IN4S and a molecular weight of 378.28 g/mol. Its IUPAC name is 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
PubChem CID106445744
Molecular FormulaC12H19IN4S
Molecular Weight378.28 g/mol
Exact Mass378.04
IUPAC Name5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2CSCCN2C)nc(N)c1I
InChIInChI=1S/C12H19IN4S/c1-3-4-8-10(13)11(14)16-12(15-8)9-7-18-6-5-17(9)2/h9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyBRKMWOOQJFAYLP-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 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 ≤ 52.34
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

6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
CID 106445757
3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
CID 106445977
[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
CID 114206031
ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
CID 106445642
5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445664
2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445661
3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
CID 106446173
4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
CID 106446147
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 106445974
5-bromo-2-(4-methylthiomorpholin-3-yl)-4-propyl-1H-pyrimidin-6-one
CID 136736243
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106446176

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine (CID 106445744) is 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine is CCCc1nc(C2CSCCN2C)nc(N)c1I.
What is the InChIKey of 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine?
The InChIKey is BRKMWOOQJFAYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4S/c1-3-4-8-10(13)11(14)16-12(15-8)9-7-18-6-5-17(9)2/h9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine?
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine has a molecular weight of 378.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 106445744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).