5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine

C10H11ClN4OS — CID 138050714

IUPAC5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1nscc1CN(C)c1ncncc1Cl
InChIInChI=1S/C10H11ClN4OS/c1-15(9-8(11)3-12-6-13-9)4-7-5-17-14-10(7)16-2/h3,5-6H,4H2,1-2H3
InChIKeyLRROEBKHYOTWON-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.23
Rot. Bonds4

About 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine

5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 138050714) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID138050714
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1nscc1CN(C)c1ncncc1Cl
InChIInChI=1S/C10H11ClN4OS/c1-15(9-8(11)3-12-6-13-9)4-7-5-17-14-10(7)16-2/h3,5-6H,4H2,1-2H3
InChIKeyLRROEBKHYOTWON-UHFFFAOYSA-N
XLogP2.23
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine (CID 138050714) is 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine is COc1nscc1CN(C)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is LRROEBKHYOTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-15(9-8(11)3-12-6-13-9)4-7-5-17-14-10(7)16-2/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 270.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 138050714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).