[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C16H23N5OS — CID 133405989

IUPAC[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1nc(CNc2cc(N3CCCC(CO)C3)ncn2)c(C)s1
InChIInChI=1S/C16H23N5OS/c1-11-14(20-12(2)23-11)7-17-15-6-16(19-10-18-15)21-5-3-4-13(8-21)9-22/h6,10,13,22H,3-5,7-9H2,1-2H3,(H,17,18,19)
InChIKeyYLRHSWJEJUTVAG-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.37
Rot. Bonds5

About [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133405989) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133405989
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1nc(CNc2cc(N3CCCC(CO)C3)ncn2)c(C)s1
InChIInChI=1S/C16H23N5OS/c1-11-14(20-12(2)23-11)7-17-15-6-16(19-10-18-15)21-5-3-4-13(8-21)9-22/h6,10,13,22H,3-5,7-9H2,1-2H3,(H,17,18,19)
InChIKeyYLRHSWJEJUTVAG-UHFFFAOYSA-N
XLogP2.37
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
[1-[6-[2-(4-methylpyrazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133281793
[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304152
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133380211
[(3S)-1-[6-[2-(1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 171359084
[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133350349
[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300453

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133405989) is [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1nc(CNc2cc(N3CCCC(CO)C3)ncn2)c(C)s1.
What is the InChIKey of [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is YLRHSWJEJUTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-14(20-12(2)23-11)7-17-15-6-16(19-10-18-15)21-5-3-4-13(8-21)9-22/h6,10,13,22H,3-5,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 333.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133405989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).