5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine

C14H18N4S — CID 55145590

IUPAC5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2nc(C3CCCCC3)cs2)c(N)n1
InChIInChI=1S/C14H18N4S/c1-9-16-7-11(13(15)17-9)14-18-12(8-19-14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,15,16,17)
InChIKeyCISHVUDUNULDBF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.54
Rot. Bonds2

About 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine

5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 55145590) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine
PubChem CID55145590
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2nc(C3CCCCC3)cs2)c(N)n1
InChIInChI=1S/C14H18N4S/c1-9-16-7-11(13(15)17-9)14-18-12(8-19-14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,15,16,17)
InChIKeyCISHVUDUNULDBF-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine (CID 55145590) is 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine is Cc1ncc(-c2nc(C3CCCCC3)cs2)c(N)n1.
What is the InChIKey of 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is CISHVUDUNULDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-16-7-11(13(15)17-9)14-18-12(8-19-14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine?
5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 55145590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).