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

C11H13ClN4O2S — CID 138050718

IUPAC5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N(C)Cc2csnc2OC)n1
InChIInChI=1S/C11H13ClN4O2S/c1-16(5-7-6-19-15-10(7)17-2)9-8(12)4-13-11(14-9)18-3/h4,6H,5H2,1-3H3
InChIKeyZSZVIDOKFWGKER-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.24
Rot. Bonds5

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

5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 138050718) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID138050718
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N(C)Cc2csnc2OC)n1
InChIInChI=1S/C11H13ClN4O2S/c1-16(5-7-6-19-15-10(7)17-2)9-8(12)4-13-11(14-9)18-3/h4,6H,5H2,1-3H3
InChIKeyZSZVIDOKFWGKER-UHFFFAOYSA-N
XLogP2.24
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine (CID 138050718) is 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine is COc1ncc(Cl)c(N(C)Cc2csnc2OC)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is ZSZVIDOKFWGKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-16(5-7-6-19-15-10(7)17-2)9-8(12)4-13-11(14-9)18-3/h4,6H,5H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine?
5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 300.77 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 138050718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).