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

C16H16N4OS — CID 11324412

IUPAC[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
SMILESCc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1
InChIInChI=1S/C16H16N4OS/c1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-8-13(9-21)22-15/h3-8,21H,9H2,1-2H3,(H,17,19,20)
InChIKeyXZSYGIPHRZNQNN-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.45
Rot. Bonds4

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

[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 11324412) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
PubChem CID11324412
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol
SMILESCc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1
InChIInChI=1S/C16H16N4OS/c1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-8-13(9-21)22-15/h3-8,21H,9H2,1-2H3,(H,17,19,20)
InChIKeyXZSYGIPHRZNQNN-UHFFFAOYSA-N
XLogP3.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol (CID 11324412) is [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol is Cc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1.
What is the InChIKey of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is XZSYGIPHRZNQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-8-13(9-21)22-15/h3-8,21H,9H2,1-2H3,(H,17,19,20).
What are the key properties of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol?
[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 312.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 11324412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).