6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine

C11H15N5OS — CID 113253638

IUPAC6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCCc2csc(C)n2)c1N
InChIInChI=1S/C11H15N5OS/c1-7-16-8(5-18-7)3-4-13-10-9(12)11(17-2)15-6-14-10/h5-6H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyJKGMWDDLIYGCFF-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.49
Rot. Bonds5

About 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine

6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine (PubChem CID 113253638) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
PubChem CID113253638
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCCc2csc(C)n2)c1N
InChIInChI=1S/C11H15N5OS/c1-7-16-8(5-18-7)3-4-13-10-9(12)11(17-2)15-6-14-10/h5-6H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyJKGMWDDLIYGCFF-UHFFFAOYSA-N
XLogP1.49
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
CID 106036185
4-fluoro-5-methoxy-1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 106035876
2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 114139225
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
3,5-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 114140629
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine (CID 113253638) is 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine is COc1ncnc(NCCc2csc(C)n2)c1N.
What is the InChIKey of 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is JKGMWDDLIYGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7-16-8(5-18-7)3-4-13-10-9(12)11(17-2)15-6-14-10/h5-6H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine?
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 265.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 113253638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).