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

C21H26N6OS — CID 11538800

IUPACN-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3C)n2)s1
InChIInChI=1S/C21H26N6OS/c1-4-22-21-24-15(3)19(29-21)18-7-8-23-20(26-18)25-17-6-5-16(13-14(17)2)27-9-11-28-12-10-27/h5-8,13H,4,9-12H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyKOKWGCJIARADQT-UHFFFAOYSA-N
MW410.55 g/mol
LogP4.23
Rot. Bonds6

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

N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11538800) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID11538800
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3C)n2)s1
InChIInChI=1S/C21H26N6OS/c1-4-22-21-24-15(3)19(29-21)18-7-8-23-20(26-18)25-17-6-5-16(13-14(17)2)27-9-11-28-12-10-27/h5-8,13H,4,9-12H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyKOKWGCJIARADQT-UHFFFAOYSA-N
XLogP4.23
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.23
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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Related Compounds

N-ethyl-4-methyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 24752189
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 11540100
N-(2-ethylphenyl)-5-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 87649783
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 141131245
1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol
CID 89199107
N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 86610334
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
5-[[4-[2-(ethylamino)-4-(3-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoic acid
CID 86656298
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
CID 168579906
4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 59198045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 11538800) is N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3C)n2)s1.
What is the InChIKey of N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is KOKWGCJIARADQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-4-22-21-24-15(3)19(29-21)18-7-8-23-20(26-18)25-17-6-5-16(13-14(17)2)27-9-11-28-12-10-27/h5-8,13H,4,9-12H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 410.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11538800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).