5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

C17H20N6S — CID 11724828

IUPAC5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2ccnc(Nc3cccc(CN)c3)n2)s1
InChIInChI=1S/C17H20N6S/c1-3-19-17-21-11(2)15(24-17)14-7-8-20-16(23-14)22-13-6-4-5-12(9-13)10-18/h4-9H,3,10,18H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyZKPTZRGIFZZOFZ-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.54
Rot. Bonds6

About 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 11724828) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
PubChem CID11724828
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2ccnc(Nc3cccc(CN)c3)n2)s1
InChIInChI=1S/C17H20N6S/c1-3-19-17-21-11(2)15(24-17)14-7-8-20-16(23-14)22-13-6-4-5-12(9-13)10-18/h4-9H,3,10,18H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyZKPTZRGIFZZOFZ-UHFFFAOYSA-N
XLogP3.54
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine (CID 11724828) is 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine is CCNc1nc(C)c(-c2ccnc(Nc3cccc(CN)c3)n2)s1.
What is the InChIKey of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZKPTZRGIFZZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-3-19-17-21-11(2)15(24-17)14-7-8-20-16(23-14)22-13-6-4-5-12(9-13)10-18/h4-9H,3,10,18H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 340.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 11724828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).