N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine

C23H31F3N8OS — CID 143514618

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine
SMILESCCN(C)CC.Cc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H18F3N7OS.C5H13N/c1-10-9-30-17(24-10)27-15-7-13(25-16(26-15)28-2-4-29-5-3-28)11-8-23-14(22)6-12(11)18(19,20)21;1-4-6(3)5-2/h6-9H,2-5H2,1H3,(H2,22,23)(H,24,25,26,27);4-5H2,1-3H3
InChIKeyPXLDDJNILXGYSM-UHFFFAOYSA-N
MW524.62 g/mol
LogP4.44
Rot. Bonds6

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine (PubChem CID 143514618) has the molecular formula C23H31F3N8OS and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine
PubChem CID143514618
Molecular FormulaC23H31F3N8OS
Molecular Weight524.62 g/mol
Exact Mass524.23
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine
SMILESCCN(C)CC.Cc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H18F3N7OS.C5H13N/c1-10-9-30-17(24-10)27-15-7-13(25-16(26-15)28-2-4-29-5-3-28)11-8-23-14(22)6-12(11)18(19,20)21;1-4-6(3)5-2/h6-9H,2-5H2,1H3,(H2,22,23)(H,24,25,26,27);4-5H2,1-3H3
InChIKeyPXLDDJNILXGYSM-UHFFFAOYSA-N
XLogP4.44
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine with MolForge

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Launch Full Analysis

Related Compounds

Cyc-116
CID 6420138
Ulecaciclib
CID 126535127
4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487447
6-((5-ethyl-4-(fluoromethyl)thiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487448
6-((5-(fluoromethyl)-4-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487440
N-Ethyl-4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10340715
N,4-Dimethyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10430000
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979398
5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15980475

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine (CID 143514618) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine.
What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine is CCN(C)CC.Cc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.
What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine?
The InChIKey is PXLDDJNILXGYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7OS.C5H13N/c1-10-9-30-17(24-10)27-15-7-13(25-16(26-15)28-2-4-29-5-3-28)11-8-23-14(22)6-12(11)18(19,20)21;1-4-6(3)5-2/h6-9H,2-5H2,1H3,(H2,22,23)(H,24,25,26,27);4-5H2,1-3H3.
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine has a molecular weight of 524.62 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine;N-ethyl-N-methylethanamine is sourced from PubChem (CID 143514618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).