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

C19H24N6OS — CID 67269625

IUPACN,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine
SMILESCNN1CSC(c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)=C1C
InChIInChI=1S/C19H24N6OS/c1-14-18(27-13-25(14)20-2)17-7-8-21-19(23-17)22-15-3-5-16(6-4-15)24-9-11-26-12-10-24/h3-8,20H,9-13H2,1-2H3,(H,21,22,23)
InChIKeyWRNPWJSSIDNYEU-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.89
Rot. Bonds5

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

N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine (PubChem CID 67269625) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine
PubChem CID67269625
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine
SMILESCNN1CSC(c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)=C1C
InChIInChI=1S/C19H24N6OS/c1-14-18(27-13-25(14)20-2)17-7-8-21-19(23-17)22-15-3-5-16(6-4-15)24-9-11-26-12-10-24/h3-8,20H,9-13H2,1-2H3,(H,21,22,23)
InChIKeyWRNPWJSSIDNYEU-UHFFFAOYSA-N
XLogP2.89
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine?
The IUPAC name of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine (CID 67269625) is N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine is CNN1CSC(c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)=C1C.
What is the InChIKey of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine?
The InChIKey is WRNPWJSSIDNYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-14-18(27-13-25(14)20-2)17-7-8-21-19(23-17)22-15-3-5-16(6-4-15)24-9-11-26-12-10-24/h3-8,20H,9-13H2,1-2H3,(H,21,22,23).
What are the key properties of N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine?
N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine has a molecular weight of 384.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine is sourced from PubChem (CID 67269625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).