3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol

C15H15N5OS — CID 6539289

IUPAC3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(21)8-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyXNKSRGHGPSHYIW-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.40
Rot. Bonds4

About 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol

3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol (PubChem CID 6539289) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
PubChem CID6539289
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(21)8-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyXNKSRGHGPSHYIW-UHFFFAOYSA-N
XLogP3.40
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol (CID 6539289) is 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol is CNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1.
What is the InChIKey of 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
The InChIKey is XNKSRGHGPSHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(21)8-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol has a molecular weight of 313.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 6539289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).