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

C16H18N6S — CID 10042059

IUPAC5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(CN)c3)n2)s1
InChIInChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyJSPUQLJSRURNQL-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.15
Rot. Bonds5

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

5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 10042059) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID10042059
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(CN)c3)n2)s1
InChIInChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyJSPUQLJSRURNQL-UHFFFAOYSA-N
XLogP3.15
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.15
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,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 10042059) is 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(-c2ccnc(Nc3cccc(CN)c3)n2)s1.
What is the InChIKey of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is JSPUQLJSRURNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of 5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 326.43 g/mol, XLogP of 3.15, 5 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,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10042059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).