[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol

C9H9ClN4OS — CID 141486879

IUPAC[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Cl)cc(Nc2ncc(CO)s2)n1
InChIInChI=1S/C9H9ClN4OS/c1-5-12-7(10)2-8(13-5)14-9-11-3-6(4-15)16-9/h2-3,15H,4H2,1H3,(H,11,12,13,14)
InChIKeyNINIOVFBEBQHFX-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.13
Rot. Bonds3

About [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol

[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 141486879) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID141486879
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Cl)cc(Nc2ncc(CO)s2)n1
InChIInChI=1S/C9H9ClN4OS/c1-5-12-7(10)2-8(13-5)14-9-11-3-6(4-15)16-9/h2-3,15H,4H2,1H3,(H,11,12,13,14)
InChIKeyNINIOVFBEBQHFX-UHFFFAOYSA-N
XLogP2.13
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol (CID 141486879) is [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol is Cc1nc(Cl)cc(Nc2ncc(CO)s2)n1.
What is the InChIKey of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is NINIOVFBEBQHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-5-12-7(10)2-8(13-5)14-9-11-3-6(4-15)16-9/h2-3,15H,4H2,1H3,(H,11,12,13,14).
What are the key properties of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 256.72 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 141486879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).