5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine

C24H30N8OS — CID 59295350

IUPAC5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CN4CC5CC4CO5)cn3)s2)nc(NC2CCCCC2)n1
InChIInChI=1S/C24H30N8OS/c1-15-7-20(30-23(28-15)29-16-5-3-2-4-6-16)21-10-27-24(34-21)31-22-11-25-17(9-26-22)12-32-13-19-8-18(32)14-33-19/h7,9-11,16,18-19H,2-6,8,12-14H2,1H3,(H,26,27,31)(H,28,29,30)
InChIKeyOAQXRSJWZVILQY-UHFFFAOYSA-N
MW478.63 g/mol
LogP4.16
Rot. Bonds7

About 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine

5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 59295350) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID59295350
Molecular FormulaC24H30N8OS
Molecular Weight478.63 g/mol
Exact Mass478.23
IUPAC Name5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CN4CC5CC4CO5)cn3)s2)nc(NC2CCCCC2)n1
InChIInChI=1S/C24H30N8OS/c1-15-7-20(30-23(28-15)29-16-5-3-2-4-6-16)21-10-27-24(34-21)31-22-11-25-17(9-26-22)12-32-13-19-8-18(32)14-33-19/h7,9-11,16,18-19H,2-6,8,12-14H2,1H3,(H,26,27,31)(H,28,29,30)
InChIKeyOAQXRSJWZVILQY-UHFFFAOYSA-N
XLogP4.16
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine (CID 59295350) is 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cc(-c2cnc(Nc3cnc(CN4CC5CC4CO5)cn3)s2)nc(NC2CCCCC2)n1.
What is the InChIKey of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is OAQXRSJWZVILQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8OS/c1-15-7-20(30-23(28-15)29-16-5-3-2-4-6-16)21-10-27-24(34-21)31-22-11-25-17(9-26-22)12-32-13-19-8-18(32)14-33-19/h7,9-11,16,18-19H,2-6,8,12-14H2,1H3,(H,26,27,31)(H,28,29,30).
What are the key properties of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine?
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 478.63 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59295350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).