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

C10H11ClN4OS — CID 80759146

IUPAC5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2cnc(C)s2)n1
InChIInChI=1S/C10H11ClN4OS/c1-6-12-3-7(17-6)4-13-9-8(11)5-14-10(15-9)16-2/h3,5H,4H2,1-2H3,(H,13,14,15)
InChIKeyXDNCBVMILQTZDX-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.52
Rot. Bonds4

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

5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 80759146) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID80759146
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2cnc(C)s2)n1
InChIInChI=1S/C10H11ClN4OS/c1-6-12-3-7(17-6)4-13-9-8(11)5-14-10(15-9)16-2/h3,5H,4H2,1-2H3,(H,13,14,15)
InChIKeyXDNCBVMILQTZDX-UHFFFAOYSA-N
XLogP2.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 80759146) is 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCc2cnc(C)s2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is XDNCBVMILQTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-6-12-3-7(17-6)4-13-9-8(11)5-14-10(15-9)16-2/h3,5H,4H2,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 270.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80759146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).