[4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol

C20H24N4OS — CID 143946649

IUPAC[4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCc1nc(C)c(-c2nc3ccccc3s2)c(NC2CCC(CO)CC2)n1
InChIInChI=1S/C20H24N4OS/c1-12-18(20-24-16-5-3-4-6-17(16)26-20)19(22-13(2)21-12)23-15-9-7-14(11-25)8-10-15/h3-6,14-15,25H,7-11H2,1-2H3,(H,21,22,23)
InChIKeyZFBGIJJMMKCYHT-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.33
Rot. Bonds4

About [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol

[4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 143946649) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID143946649
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCc1nc(C)c(-c2nc3ccccc3s2)c(NC2CCC(CO)CC2)n1
InChIInChI=1S/C20H24N4OS/c1-12-18(20-24-16-5-3-4-6-17(16)26-20)19(22-13(2)21-12)23-15-9-7-14(11-25)8-10-15/h3-6,14-15,25H,7-11H2,1-2H3,(H,21,22,23)
InChIKeyZFBGIJJMMKCYHT-UHFFFAOYSA-N
XLogP4.33
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-2-(1,3-difluoropropan-2-ylamino)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643853
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(3-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643945
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(4-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643925
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643961
1-[[5-(1,3-benzothiazol-2-yl)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methylpyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 143946734
5-(1,3-benzothiazol-2-yl)-4-N-cyclopentyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 142615828
[(1R,3S)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-chloropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 89101069
[3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 142616504
(1S,2R,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 70919439
[(1R,3S)-3-[[2-(azetidin-1-yl)-5-(1,3-benzothiazol-2-yl)-6-chloropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 89101040
[3-[[3-(1,3-benzothiazol-2-yl)-2-methyl-6-(pyridin-4-ylamino)-4-pyridinyl]amino]cyclopentyl]methanol
CID 144605955
(1R,2R,4S)-2-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol
CID 70919477

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol (CID 143946649) is [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol is Cc1nc(C)c(-c2nc3ccccc3s2)c(NC2CCC(CO)CC2)n1.
What is the InChIKey of [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is ZFBGIJJMMKCYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-12-18(20-24-16-5-3-4-6-17(16)26-20)19(22-13(2)21-12)23-15-9-7-14(11-25)8-10-15/h3-6,14-15,25H,7-11H2,1-2H3,(H,21,22,23).
What are the key properties of [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol?
[4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 368.51 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(1,3-benzothiazol-2-yl)-2,6-dimethylpyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 143946649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).