1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol

C26H29N7O2S — CID 89199107

IUPAC1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol
SMILESCCNc1nc(-c2cccc(C(C)O)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1
InChIInChI=1S/C26H29N7O2S/c1-3-27-26-32-23(19-6-4-5-18(15-19)17(2)34)24(36-26)21-9-10-28-25(31-21)30-20-7-8-22(29-16-20)33-11-13-35-14-12-33/h4-10,15-17,34H,3,11-14H2,1-2H3,(H,27,32)(H,28,30,31)
InChIKeyKAIRVTNNJBTRKB-UHFFFAOYSA-N
MW503.63 g/mol
LogP4.73
Rot. Bonds8

About 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol

1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol (PubChem CID 89199107) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol
PubChem CID89199107
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol
SMILESCCNc1nc(-c2cccc(C(C)O)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1
InChIInChI=1S/C26H29N7O2S/c1-3-27-26-32-23(19-6-4-5-18(15-19)17(2)34)24(36-26)21-9-10-28-25(31-21)30-20-7-8-22(29-16-20)33-11-13-35-14-12-33/h4-10,15-17,34H,3,11-14H2,1-2H3,(H,27,32)(H,28,30,31)
InChIKeyKAIRVTNNJBTRKB-UHFFFAOYSA-N
XLogP4.73
TPSA108.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3,4-dimethoxy-N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfinamide
CID 90756190
2,6-difluoro-N-[2-fluoro-5-[2-morpholin-4-yl-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575912
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
2,6-difluoro-N-[2-fluoro-5-[2-(4-methylpiperazin-1-yl)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575785
1-[4-[5-[[4-[4-[3-(benzenesulfonylmethyl)phenyl]-2-ethyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]ethanone
CID 56670002
N-[3-[5-[2-[[6-(azepan-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzenesulfonamide
CID 58575867
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 11538800
4-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-5-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 89410375
N-(aminomethyl)-4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]benzamide
CID 70864316
N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
CID 71562507
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol?
The IUPAC name of 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) is 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol is CCNc1nc(-c2cccc(C(C)O)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1.
What is the InChIKey of 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol?
The InChIKey is KAIRVTNNJBTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-3-27-26-32-23(19-6-4-5-18(15-19)17(2)34)24(36-26)21-9-10-28-25(31-21)30-20-7-8-22(29-16-20)33-11-13-35-14-12-33/h4-10,15-17,34H,3,11-14H2,1-2H3,(H,27,32)(H,28,30,31).
What are the key properties of 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol?
1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol has a molecular weight of 503.63 g/mol, XLogP of 4.73, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 89199107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).