5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine

C21H24N6OS — CID 164613404

IUPAC5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESC=Cc1cnc(Nc2cccc(N3CCOCC3)c2)nc1-c1sc(NC)nc1C
InChIInChI=1S/C21H24N6OS/c1-4-15-13-23-20(26-18(15)19-14(2)24-21(22-3)29-19)25-16-6-5-7-17(12-16)27-8-10-28-11-9-27/h4-7,12-13H,1,8-11H2,2-3H3,(H,22,24)(H,23,25,26)
InChIKeyKEMDKRATVFSGJN-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.17
Rot. Bonds6

About 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine

5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 164613404) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID164613404
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESC=Cc1cnc(Nc2cccc(N3CCOCC3)c2)nc1-c1sc(NC)nc1C
InChIInChI=1S/C21H24N6OS/c1-4-15-13-23-20(26-18(15)19-14(2)24-21(22-3)29-19)25-16-6-5-7-17(12-16)27-8-10-28-11-9-27/h4-7,12-13H,1,8-11H2,2-3H3,(H,22,24)(H,23,25,26)
InChIKeyKEMDKRATVFSGJN-UHFFFAOYSA-N
XLogP4.17
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 164613404) is 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine is C=Cc1cnc(Nc2cccc(N3CCOCC3)c2)nc1-c1sc(NC)nc1C.
What is the InChIKey of 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is KEMDKRATVFSGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-4-15-13-23-20(26-18(15)19-14(2)24-21(22-3)29-19)25-16-6-5-7-17(12-16)27-8-10-28-11-9-27/h4-7,12-13H,1,8-11H2,2-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 408.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 164613404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).