[2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol

C21H18N4O2S — CID 58974818

IUPAC[2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2ccnc(Nc3ccccc3OCc3ccccc3)n2)s1
InChIInChI=1S/C21H18N4O2S/c26-13-16-12-23-20(28-16)18-10-11-22-21(25-18)24-17-8-4-5-9-19(17)27-14-15-6-2-1-3-7-15/h1-12,26H,13-14H2,(H,22,24,25)
InChIKeyTVMUCBWTVIJQHB-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.41
Rot. Bonds7

About [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol

[2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 58974818) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
PubChem CID58974818
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name[2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2ccnc(Nc3ccccc3OCc3ccccc3)n2)s1
InChIInChI=1S/C21H18N4O2S/c26-13-16-12-23-20(28-16)18-10-11-22-21(25-18)24-17-8-4-5-9-19(17)27-14-15-6-2-1-3-7-15/h1-12,26H,13-14H2,(H,22,24,25)
InChIKeyTVMUCBWTVIJQHB-UHFFFAOYSA-N
XLogP4.41
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-[2-(cyclohexa-2,4-dien-1-ylmethoxy)anilino]pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
CID 142948252
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanol
CID 79718635
4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 58974655
4-[[4-(4-fluoro-2-phenylmethoxyphenyl)pyrimidin-2-yl]amino]benzoic acid
CID 171348183
4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46896572
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
CID 176989777
N-[3-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292069
[3-[2-(2-methoxyanilino)pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol
CID 157192550
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
CID 69180348
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol (CID 58974818) is [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2ccnc(Nc3ccccc3OCc3ccccc3)n2)s1.
What is the InChIKey of [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is TVMUCBWTVIJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-13-16-12-23-20(28-16)18-10-11-22-21(25-18)24-17-8-4-5-9-19(17)27-14-15-6-2-1-3-7-15/h1-12,26H,13-14H2,(H,22,24,25).
What are the key properties of [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
[2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 390.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 58974818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).