4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

C10H13N5O2S — CID 46948482

IUPAC4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(CN)cs2)n1
InChIInChI=1S/C10H13N5O2S/c1-16-7-3-8(17-2)14-9(13-7)15-10-12-6(4-11)5-18-10/h3,5H,4,11H2,1-2H3,(H,12,13,14,15)
InChIKeyLVXUDYVMNUCKEM-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.15
Rot. Bonds5

About 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46948482) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46948482
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(CN)cs2)n1
InChIInChI=1S/C10H13N5O2S/c1-16-7-3-8(17-2)14-9(13-7)15-10-12-6(4-11)5-18-10/h3,5H,4,11H2,1-2H3,(H,12,13,14,15)
InChIKeyLVXUDYVMNUCKEM-UHFFFAOYSA-N
XLogP1.15
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46948482) is 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is COc1cc(OC)nc(Nc2nc(CN)cs2)n1.
What is the InChIKey of 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is LVXUDYVMNUCKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-16-7-3-8(17-2)14-9(13-7)15-10-12-6(4-11)5-18-10/h3,5H,4,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 267.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46948482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).